id
int64 0
871k
| molecules
dict | ground_truth
stringlengths 5
398
| messages
listlengths 3
3
|
|---|---|---|---|
200
|
{
"selfies": [
"[C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][N][=C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[Cl]",
"[O]",
"[O][=N][O-1]",
"[Al+3]",
"[Cl-1]",
"[N-1][=N+1][=N-1]",
"[Na+1]"
],
"smiles": [
"Cc1c(Br)cccc1N=C=O",
"CN(C)C=O",
"Cl",
"O",
"O=N[O-]",
"[Al+3]",
"[Cl-]",
"[N-]=[N+]=[N-]",
"[Na+]"
]
}
|
Cc1c(Br)cccc1-n1nn[nH]c1=O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "Cc1c(Br)cccc1-n1nn[nH]c1=O",
"role": "assistant"
}
] |
201
|
{
"selfies": [
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"[C][O-1]",
"[Cl]",
"[N][O]",
"[Na+1]"
],
"smiles": [
"CO",
"COC(=O)C(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1",
"C[O-]",
"Cl",
"NO",
"[Na+]"
]
}
|
COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO)cc1",
"role": "assistant"
}
] |
202
|
{
"selfies": [
"[C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring2][Branch1][Ring1][#Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]"
],
"smiles": [
"Cc1c(S(=O)(=O)Nc2ccc(-c3ccncc3)cc2C(F)(F)F)n(C(=O)OC(C)(C)C)c2ccc(F)cc12",
"CCOC(C)=O",
"Cl"
]
}
|
Cc1c(S(=O)(=O)Nc2ccc(-c3ccncc3)cc2C(F)(F)F)[nH]c2ccc(F)cc12
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1c(S(=O)(=O)Nc2ccc(-c3ccncc3)cc2C(F)(F)F)[nH]c2ccc(F)cc12",
"role": "assistant"
}
] |
203
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2]",
"[Al+3]",
"[H-1]",
"[K+1]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"C1CCOC1",
"Cc1ccnc(NC(=O)c2c(C)nc3cc(C)ccn23)c1",
"[Al+3]",
"[H-]",
"[K+]",
"[Li+]",
"[OH-]"
]
}
|
Cc1ccnc(NCc2c(C)nc3cc(C)ccn23)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "Cc1ccnc(NCc2c(C)nc3cc(C)ccn23)c1",
"role": "assistant"
}
] |
204
|
{
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]",
"[C][C][C][=C][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S]",
"[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N]"
],
"smiles": [
"Cc1ccccc1C",
"CCc1cnc(C)cc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1",
"Nc1cc(Cl)c(Cl)cc1N"
]
}
|
CCc1cnc(C)cc1-c1cccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCc1cnc(C)cc1-c1cccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)c1",
"role": "assistant"
}
] |
205
|
{
"selfies": [
"[C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][F]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]"
],
"smiles": [
"COc1c(F)c(F)cc(C#N)c1F",
"O",
"O=S(=O)(O)O"
]
}
|
COc1c(F)c(F)cc(C(N)=O)c1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1c(F)c(F)cc(C(N)=O)c1F",
"role": "assistant"
}
] |
206
|
{
"selfies": [
"[C][=C][C][=C][Branch2][=Branch2][Ring2][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Pd][Branch2][Ring1][=C][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][=C][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=Branch1][=N]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[O][B][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]",
"[Cl-1]",
"[K+1]",
"[Na+1]"
],
"smiles": [
"c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1",
"CN(C)C=O",
"COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1",
"O",
"O=C([O-])[O-]",
"OB(O)c1cc(F)ccc1F",
"[Cl-]",
"[K+]",
"[Na+]"
]
}
|
COC(=O)c1ccc(-c2cc(F)ccc2F)c(C(=O)OC)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COC(=O)c1ccc(-c2cc(F)ccc2F)c(C(=O)OC)c1",
"role": "assistant"
}
] |
207
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][P][C]",
"[F][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2]"
],
"smiles": [
"COC(=O)C(OC(C)(C)C)c1c(-c2ccc(Cl)cc2)c2cc[nH]c2c(=O)n1C",
"Fc1ccc(F)c(CBr)c1"
]
}
|
Cn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccc(Cl)cc2)c2ccn(Cc3cc(F)ccc3F)c2c1=O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "Cn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccc(Cl)cc2)c2ccn(Cc3cc(F)ccc3F)c2c1=O",
"role": "assistant"
}
] |
208
|
{
"selfies": [
"[C][C][C][C][C][=Branch1][C][=O][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][C][C][N][Branch1][Ring1][C][#N][C][Branch1][Ring2][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch1][Ring1][=Branch2]",
"[Cl]"
],
"smiles": [
"CCC1CC(=O)C2Oc3c(OC)ccc4c3C23CCN(C#N)C(C4)C13",
"Cl"
]
}
|
CCC1CC(=O)C2Oc3c(OC)ccc4c3C23CCNC(C4)C13
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CCC1CC(=O)C2Oc3c(OC)ccc4c3C23CCNC(C4)C13",
"role": "assistant"
}
] |
209
|
{
"selfies": [
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][C][N][C][C][Ring1][#Branch2]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][SiH1][Branch1][Ring1][C][C][C][C]",
"[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Cl][S][C][Ring1][=N][=C][Ring1][P]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"C1COCCO1",
"CC(C)(C)OC(=O)N1CCC(CCCN)CC1",
"CCN(C(C)C)C(C)C",
"CC[SiH](CC)CC",
"CNC(=O)c1ccc2cc(-c3nc(Cl)ncc3Cl)sc2c1",
"ClCCl",
"O=C(O)C(F)(F)F"
]
}
|
CNC(=O)c1ccc2cc(-c3nc(NCCCC4CCNCC4)ncc3Cl)sc2c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CNC(=O)c1ccc2cc(-c3nc(NCCCC4CCNCC4)ncc3Cl)sc2c1",
"role": "assistant"
}
] |
210
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][#N]",
"[C][C][B][Branch1][Ring1][C][C][C][C]",
"[C][O]",
"[C][O][C][C][O][C][C][O][C][C][O][C]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"C1CCOC1",
"CC(C)(C)OC(=O)CC(=O)CC(O)CC#N",
"CCB(CC)CC",
"CO",
"COCCOCCOCCOC",
"[BH4-]",
"[Na+]"
]
}
|
CC(C)(C)OC(=O)CC(O)CC(O)CC#N
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)CC(O)CC(O)CC#N",
"role": "assistant"
}
] |
211
|
{
"selfies": [
"[C][C][#N]",
"[C][C][C][O][C][C][=C][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][O][C][C][O][C][C][=C][Ring1][O][=C][N][Ring1][S][N][=Ring2][Ring1][Ring2]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][I]"
],
"smiles": [
"CC#N",
"CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1",
"O=C1CCC(=O)N1I"
]
}
|
CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(I)n2n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCCOc1ccc2nc(-c3ccc(OCCOC)cc3)c(I)n2n1",
"role": "assistant"
}
] |
212
|
{
"selfies": [
"[C][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][O]",
"[Na+1]",
"[O-1][Cl]"
],
"smiles": [
"C=CCOc1ccc(Br)cc1C=NO",
"[Na+]",
"[O-]Cl"
]
}
|
C=CCOc1ccc(Br)cc1C#[N+][O-]
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "C=CCOc1ccc(Br)cc1C#[N+][O-]",
"role": "assistant"
}
] |
213
|
{
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[C][C][=O]",
"[N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C-1][#N+1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O]"
],
"smiles": [
"CC(=O)Cl",
"CC=O",
"Nc1ncccc1OCc1ccccc1",
"[C-]#[N+]C(C)(C)CC(C)(C)C",
"[O-][Cl+3]([O-])([O-])O"
]
}
|
CC(=O)[n+]1c(C)c(NC(C)(C)CC(C)(C)C)n2cccc(OCc3ccccc3)c21.[Cl-]
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)[n+]1c(C)c(NC(C)(C)CC(C)(C)C)n2cccc(OCc3ccccc3)c21.[Cl-]",
"role": "assistant"
}
] |
214
|
{
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][Cl]",
"[C][C][O][C][C]",
"[N][#C][C][C][N][Ring1][Ring1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Na+1]"
],
"smiles": [
"Cc1ccccc1C(=S)Cl",
"CCOCC",
"N#CC1CN1",
"O=C([O-])[O-]",
"[Na+]"
]
}
|
Cc1ccccc1C(=S)N1CC1C#N
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "Cc1ccccc1C(=S)N1CC1C#N",
"role": "assistant"
}
] |
215
|
{
"selfies": [
"[C][O]",
"[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][Ring1][#Branch2][N][=C][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Cs+1]"
],
"smiles": [
"CO",
"COc1cc2c(cc1OC)C1CC(OC(C)=O)CCC1N=C2c1ccc(C(=O)N=C(N)N2CCN(C(C)=O)CC2)cc1",
"O=C([O-])[O-]",
"[Cs+]"
]
}
|
COc1cc2c(cc1OC)C1CC(O)CCC1N=C2c1ccc(C(=O)N=C(N)N2CCN(C(C)=O)CC2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "COc1cc2c(cc1OC)C1CC(O)CCC1N=C2c1ccc(C(=O)N=C(N)N2CCN(C(C)=O)CC2)cc1",
"role": "assistant"
}
] |
216
|
{
"selfies": [
"[C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]",
"[C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][O][Ring1][Branch2]",
"[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"c1ccccc1",
"Cc1ccc(S(=O)(=O)O)cc1",
"CC1OC(C)OC(C)O1",
"O=C(c1ccccc1)C(O)(CO)c1ccccc1"
]
}
|
CC1OCC(C(=O)c2ccccc2)(c2ccccc2)O1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC1OCC(C(=O)c2ccccc2)(c2ccccc2)O1",
"role": "assistant"
}
] |
217
|
{
"selfies": [
"[O][=C][Branch1][Ring1][C][Br][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]",
"[N-1][=N+1][=N-1]",
"[Na+1]"
],
"smiles": [
"O=C(CBr)CN1C(=O)c2ccccc2C1=O",
"[N-]=[N+]=[N-]",
"[Na+]"
]
}
|
[N-]=[N+]=NCC(=O)CN1C(=O)c2ccccc2C1=O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "[N-]=[N+]=NCC(=O)CN1C(=O)c2ccccc2C1=O",
"role": "assistant"
}
] |
218
|
{
"selfies": [
"[C][C][Branch1][C][C][O][C][=C][C][Branch1][N][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]",
"[C][O]",
"[O]",
"[O][=Pt]",
"[H][H]",
"[I-1]"
],
"smiles": [
"CC(C)Oc1cc(-c2cc[n+](C)cc2)ccc1[N+](=O)[O-]",
"CO",
"O",
"O=[Pt]",
"[H][H]",
"[I-]"
]
}
|
CC(C)Oc1cc(C2CCN(C)CC2)ccc1N
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(C)Oc1cc(C2CCN(C)CC2)ccc1N",
"role": "assistant"
}
] |
219
|
{
"selfies": [
"[C][N][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[O][=C][Branch1][C][O][C][C][N][C][C][C][C][Ring1][Branch1][=O]"
],
"smiles": [
"CN(C(=O)Oc1ccc(F)cc1)C1CNCC1c1ccc(Cl)c(Cl)c1",
"O=C(O)CCN1CCCC1=O"
]
}
|
CN(C(=O)Oc1ccc(F)cc1)C1CN(C(=O)CCN2CCCC2=O)CC1c1ccc(Cl)c(Cl)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CN(C(=O)Oc1ccc(F)cc1)C1CN(C(=O)CCN2CCCC2=O)CC1c1ccc(Cl)c(Cl)c1",
"role": "assistant"
}
] |
220
|
{
"selfies": [
"[C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][NH1][C][=Ring1][S][C][=O]",
"[O][=C][C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2]"
],
"smiles": [
"Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=O",
"O=C1Cc2c(Cl)ncnc2N1"
]
}
|
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(Cl)c21
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(Cl)c21",
"role": "assistant"
}
] |
221
|
{
"selfies": [
"[C][N][C][N][C][N][Ring1][=Branch1][C][N][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][N][=C][Branch1][C][O][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=N]",
"[Cl]",
"[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"C1N2CN3CN1CN(C2)C3",
"CC(C)c1cc(CN)c(O)c(S(C)(=O)=O)c1",
"Cl",
"O=C(O)C(F)(F)F"
]
}
|
CC(C)c1cc(C=O)c(O)c(S(C)(=O)=O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CC(C)c1cc(C=O)c(O)c(S(C)(=O)=O)c1",
"role": "assistant"
}
] |
222
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][O][C]",
"[O]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[Li][C][C][C][C]"
],
"smiles": [
"C1CCOC1",
"COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC",
"O",
"O=C(Cl)c1ccc([N+](=O)[O-])cc1",
"[Li]CCCC"
]
}
|
COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC",
"role": "assistant"
}
] |
223
|
{
"selfies": [
"[C][C][=Branch1][C][=O][O]",
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]",
"[Cl][C][C][Cl]",
"[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][N][Ring2][Ring1][C][C][C][C][N][C][C][Ring1][=Branch1]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"CC(=O)O",
"CC(=O)O[BH-](OC(C)=O)OC(C)=O",
"CC(C)(C)OC(=O)N1CCC(=O)CC1",
"ClCCCl",
"Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCNCC1",
"O",
"O=C([O-])O",
"[Na+]"
]
}
|
CC(C)(C)OC(=O)N1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)N1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1",
"role": "assistant"
}
] |
224
|
{
"selfies": [
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][NH1][C][=N][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C][=Ring1][#Branch2][=C][Ring2][Ring1][Branch1]",
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][NH1][C][=N][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=Ring1][#Branch2][=C][Ring2][Ring1][O]"
],
"smiles": [
"CCS(=O)(=O)c1cccc(-c2ccc(O)c3[nH]c4ncc(C)cc4c23)c1",
"CCS(=O)(=O)c1cccc(-c2ccc(OCCCN(C)C)c3[nH]c4ncc(C)cc4c23)c1"
]
}
|
CCS(=O)(=O)c1cccc(-c2ccc(OCCN(C)C)c3[nH]c4ncc(C)cc4c23)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCS(=O)(=O)c1cccc(-c2ccc(OCCN(C)C)c3[nH]c4ncc(C)cc4c23)c1",
"role": "assistant"
}
] |
225
|
{
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O]",
"[O][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)O)cc1",
"Cc1ccccc1",
"NS(=O)(=O)c1ccc(Cl)cc1",
"O",
"O=Cc1ccc(C(=O)O)cc1"
]
}
|
O=C(O)c1ccc(C=NS(=O)(=O)c2ccc(Cl)cc2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "O=C(O)c1ccc(C=NS(=O)(=O)c2ccc(Cl)cc2)cc1",
"role": "assistant"
}
] |
226
|
{
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][Branch1][C][C][C][Branch1][Ring1][C][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][S][Branch1][C][C][=O]",
"[Cl][C][Cl]",
"[O]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]"
],
"smiles": [
"CCCCCCCCCCCCCCCCOC(C)C(CO)OCc1ccccc1",
"CCN(CC)CC",
"CS(C)=O",
"ClCCl",
"O",
"O=C(Cl)C(=O)Cl"
]
}
|
CCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCCOCC(CO)OCc1ccccc1",
"role": "assistant"
}
] |
227
|
{
"selfies": [
"[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch2]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]",
"[Cl][C][Cl]"
],
"smiles": [
"c1ccc2c(c1)CCCCN2",
"CCN(CC)CC",
"CN(C)c1ccncc1",
"COC(=O)C=Cc1ccc(C(=O)O)cc1",
"ClCCl"
]
}
|
COC(=O)C=Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COC(=O)C=Cc1ccc(C(=O)N2CCCCc3ccccc32)cc1",
"role": "assistant"
}
] |
228
|
{
"selfies": [
"[C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C]",
"[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(-c2cc3ccccc3o2)cc1",
"COc1ccc(C(=O)c2c(-c3ccc(C)cc3)oc3ccccc23)cc1",
"COc1ccc(C(=O)Cl)cc1"
]
}
|
Cc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(O)cc2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(O)cc2)cc1",
"role": "assistant"
}
] |
229
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch2][Ring1][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][S][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][C][O][C]"
],
"smiles": [
"C1CCOC1",
"COc1ccc(C(CCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC"
]
}
|
COc1ccc(C(CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc(C(CCCCCN2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC",
"role": "assistant"
}
] |
230
|
{
"selfies": [
"[C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][O][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[Mn+4]",
"[O-2]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(CO)cnc32)cc1",
"ClC(Cl)Cl",
"[Mn+4]",
"[O-2]"
]
}
|
Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(C=O)cnc32)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(C=O)cnc32)cc1",
"role": "assistant"
}
] |
231
|
{
"selfies": [
"[C][C][O][C][C]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]",
"[Al+3]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOCC",
"COC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1",
"O=S(=O)(O)O",
"[Al+3]",
"[H-]",
"[Li+]"
]
}
|
CC(CO)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(CO)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1",
"role": "assistant"
}
] |
232
|
{
"selfies": [
"[C][C][C][O][C][Branch2][Ring2][Ring1][C][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][Branch1][C][C][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"[C][O]"
],
"smiles": [
"CCCOC(CCC=C(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(CCC(C)C)C(C)OCc1ccc(OC)cc1",
"CO"
]
}
|
CCCOC(CCCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(CCC(C)C)C(C)OCc1ccc(OC)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCCOC(CCCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1)C(CCC(C)C)C(C)OCc1ccc(OC)cc1",
"role": "assistant"
}
] |
233
|
{
"selfies": [
"[C][#C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Ring1][#Branch2][Branch1][C][C][C]",
"[C][C][C][N][C][Ring1][Branch1]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][#N]",
"[O]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"C#CCOc1cc2c(cc1OC)C(=O)CC2(C)C",
"C1CCNC1",
"Cc1ccccc1C",
"CCOC(=O)CC#N",
"O",
"O=C(O)c1ccccc1"
]
}
|
C#CCOc1cc2c(cc1OC)C(=C(C#N)C(=O)OCC)CC2(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "C#CCOc1cc2c(cc1OC)C(=C(C#N)C(=O)OCC)CC2(C)C",
"role": "assistant"
}
] |
234
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch2][Ring1][O][P][=Branch1][C][=S][S][P][=Branch1][C][=S][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"C1CCOC1",
"COc1cc(Cl)nc(C(N)=O)c1",
"COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1"
]
}
|
COc1cc(Cl)nc(C(N)=S)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COc1cc(Cl)nc(C(N)=S)c1",
"role": "assistant"
}
] |
235
|
{
"selfies": [
"[C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][S][Branch1][C][C][=O]",
"[Cl]",
"[N][O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"CCCc1nc(C)c(-c2ccc3c(c2)C(OC)CC(C)(C)O3)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1",
"CCOC(C)=O",
"CS(C)=O",
"Cl",
"NO",
"O=C([O-])O",
"[Na+]"
]
}
|
CCCc1nc(C)c(-c2ccc3c(c2)C(OC)CC(C)(C)O3)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCCc1nc(C)c(-c2ccc3c(c2)C(OC)CC(C)(C)O3)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1",
"role": "assistant"
}
] |
236
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][S]",
"[C][C][=N][O][N][=C][Ring1][Branch1][C][Br]",
"[C][C][N][N][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][P][=N][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nn[nH]c2n1",
"Cc1nonc1CBr",
"CCn1nc2nc(C(C)(C)C)nc(N3CCC(F)(F)C3)c2n1"
]
}
|
Cc1nonc1Cn1nc2nc(C(C)(C)C)nc(N3CCC(F)(F)C3)c2n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1nonc1Cn1nc2nc(C(C)(C)C)nc(N3CCC(F)(F)C3)c2n1",
"role": "assistant"
}
] |
237
|
{
"selfies": [
"[C][C][Branch1][C][C][=O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][O]",
"[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]"
],
"smiles": [
"CC(C)=O",
"COC(=O)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O",
"COS(=O)(=O)OC",
"O=C([O-])[O-]",
"[K+]"
]
}
|
COC(=O)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COC(=O)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1OC",
"role": "assistant"
}
] |
238
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][N][C]",
"[Cl][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1]"
],
"smiles": [
"CN(C)C=O",
"CNC",
"Clc1nc2ccccc2n2cnnc12"
]
}
|
CN(C)c1nc2ccccc2n2cnnc12
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CN(C)c1nc2ccccc2n2cnnc12",
"role": "assistant"
}
] |
239
|
{
"selfies": [
"[C][I]",
"[Cl][C][Cl]",
"[O]",
"[C-1][#N+1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CI",
"ClCCl",
"O",
"[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1",
"[Na+]",
"[OH-]"
]
}
|
[C-]#[N+]C(C)S(=O)(=O)c1ccc(C)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "[C-]#[N+]C(C)S(=O)(=O)c1ccc(C)cc1",
"role": "assistant"
}
] |
240
|
{
"selfies": [
"[Br]",
"[C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][S][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][N][C][Ring1][#Branch1][=N][NH1][C][Ring1][=C][=C][Ring2][Ring1][C]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[O][=C][Branch1][C][O-1][O]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N]",
"[Na+1]"
],
"smiles": [
"Br",
"CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCNC4)n[nH]c2c1",
"CCN(C(C)C)C(C)C",
"CN(C)C=O",
"O=C([O-])O",
"O=S(=O)(Cl)c1ccc(N2CCOCC2)nc1",
"[Na+]"
]
}
|
CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(N5CCOCC5)nc3)C4)n[nH]c2c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(N5CCOCC5)nc3)C4)n[nH]c2c1",
"role": "assistant"
}
] |
241
|
{
"selfies": [
"[Cl]",
"[Cl][C][Cl]",
"[O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[K+1]",
"[O-1][Cl+2][Branch1][C][O-1][O-1]"
],
"smiles": [
"Cl",
"ClCCl",
"O",
"O=[N+]([O-])c1cccc(O)c1",
"[K+]",
"[O-][Cl+2]([O-])[O-]"
]
}
|
O=[N+]([O-])c1cccc(O)c1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1cccc(O)c1Cl",
"role": "assistant"
}
] |
242
|
{
"selfies": [
"[C][C][Branch1][C][C][=O]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2]",
"[I-1]",
"[Na+1]"
],
"smiles": [
"CC(C)=O",
"COc1ccc(CN2C(=O)CC2COS(C)(=O)=O)c(OC)c1",
"[I-]",
"[Na+]"
]
}
|
COc1ccc(CN2C(=O)CC2CI)c(OC)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COc1ccc(CN2C(=O)CC2CI)c(OC)c1",
"role": "assistant"
}
] |
243
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][Cl][C][C][=C][S][C][=Ring1][Branch1][Ring1][O]",
"[O]",
"[O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"CN(C)C=O",
"N#Cc1ccc2c(c1)nc(Cl)c1ccsc12",
"O",
"Oc1ccccc1",
"[H-]",
"[Na+]"
]
}
|
N#Cc1ccc2c(c1)nc(Oc1ccccc1)c1ccsc12
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "N#Cc1ccc2c(c1)nc(Oc1ccccc1)c1ccsc12",
"role": "assistant"
}
] |
244
|
{
"selfies": [
"[C][C][N][C][C][C][S][C][Branch1][C][F][=C][C][=Ring1][=Branch1][Ring1][#Branch2]",
"[O][=C][Branch1][C][O][C][C][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2]"
],
"smiles": [
"CC1NCCc2sc(F)cc21",
"O=C(O)c1cc2ncc(Br)cn2n1"
]
}
|
CC1c2cc(F)sc2CCN1C(=O)c1cc2ncc(Br)cn2n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC1c2cc(F)sc2CCN1C(=O)c1cc2ncc(Br)cn2n1",
"role": "assistant"
}
] |
245
|
{
"selfies": [
"[C][C][=Branch1][C][=O][N][Branch1][C][C][C]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring2][Ring2]",
"[C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1]",
"[C][O]"
],
"smiles": [
"CC(=O)N(C)C",
"CC(=O)Nc1cccc(N)c1",
"Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1",
"Cc1cccc(C)n1",
"CO"
]
}
|
CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1",
"role": "assistant"
}
] |
246
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][=C][C][Br]",
"[C][C][Branch1][C][C][N-1][C][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]",
"[Li+1]"
],
"smiles": [
"C1CCOC1",
"CC(C)=CCBr",
"CC(C)[N-]C(C)C",
"CCOC(=O)C1CCCN(C(=O)OC(C)(C)C)C1",
"[Li+]"
]
}
|
CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OC(C)(C)C)C1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCOC(=O)C1(CC=C(C)C)CCCN(C(=O)OC(C)(C)C)C1",
"role": "assistant"
}
] |
247
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[Cl]",
"[N][O]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][Cl]",
"[K+1]"
],
"smiles": [
"C1CCOC1",
"CO",
"COC(=O)c1ccccc1S(=O)(=O)Cl",
"Cl",
"NO",
"O",
"O=C([O-])[O-]",
"O=S(=O)(Cl)Cl",
"[K+]"
]
}
|
COC(=O)c1ccccc1S(=O)(=O)NO
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "COC(=O)c1ccccc1S(=O)(=O)NO",
"role": "assistant"
}
] |
248
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][O][C][#N]",
"[C][C][Branch1][C][N][Branch1][Ring1][C][N][C][C][C][Ring1][Ring1]",
"[C][C][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][N][Ring2][Ring1][C]"
],
"smiles": [
"CC(C)(O)C#N",
"CC(N)(CN)C1CC1",
"CC1(C)CN(Cc2ccccc2)C2(CCCC2)CN1"
]
}
|
CC1(C2CC2)CN(Cc2ccccc2)C(C)(C)CN1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC1(C2CC2)CN(Cc2ccccc2)C(C)(C)CN1",
"role": "assistant"
}
] |
249
|
{
"selfies": [
"[C][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O]",
"[C][C][C][C][C][O][C][Ring1][Ring1][C][=Branch1][C][=O][O]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[Cl]"
],
"smiles": [
"C1CCC(NC2CCCCC2)CC1",
"C1CCOC1",
"CC(C)(C)C(=O)Cl",
"CCCCC(F)(F)C(O)CCC1C(O)CC(=O)C1CCCCCCC(=O)O",
"CCCCC1OC1C(=O)O",
"CCN(CC)CC",
"COC(=O)C(N)Cc1ccccc1",
"Cl"
]
}
|
CCCCC1OC1C(=O)NC(Cc1ccccc1)C(=O)OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CCCCC1OC1C(=O)NC(Cc1ccccc1)C(=O)OC",
"role": "assistant"
}
] |
250
|
{
"selfies": [
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl][Sn][Cl]",
"[N][#C][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"CCOC(C)=O",
"Cl[Sn]Cl",
"N#CCc1cccc([N+](=O)[O-])c1",
"O",
"O=C([O-])O",
"[Na+]"
]
}
|
N#CCc1cccc(N)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "N#CCc1cccc(N)c1",
"role": "assistant"
}
] |
251
|
{
"selfies": [
"[C][N]",
"[Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][Ring1][=C]",
"[Cl][C][Cl]",
"[O][=C][Branch1][Ring1][C][Cl][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CN",
"Clc1ccc2c(c1)C(c1ccccc1)NCCO2",
"ClCCl",
"O=C(CCl)N1CCOc2ccc(Cl)cc2C1c1ccccc1"
]
}
|
CNCC(=O)N1CCOc2ccc(Cl)cc2C1c1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CNCC(=O)N1CCOc2ccc(Cl)cc2C1c1ccccc1",
"role": "assistant"
}
] |
252
|
{
"selfies": [
"[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]",
"[C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][Branch1][Branch1][O][C][C][Br][C][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[Br-1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"c1ccc2c(c1)[nH]c1ccccc12",
"c1ccccc1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"COC(=O)C(Cc1ccc(OCCBr)cc1)Nc1ccccc1C(=O)c1ccccc1",
"[Br-]",
"[Na+]",
"[OH-]"
]
}
|
O=C(c1ccccc1)c1ccccc1NC(Cc1ccc(OCCc2cccc3c2[nH]c2ccccc23)cc1)C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "O=C(c1ccccc1)c1ccccc1NC(Cc1ccc(OCCc2cccc3c2[nH]c2ccccc23)cc1)C(=O)O",
"role": "assistant"
}
] |
253
|
{
"selfies": [
"[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][=N]",
"[O][=C][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][O][Ring1][Branch2]"
],
"smiles": [
"CCOP(=O)(OCC)OCc1ccccc1",
"O=Cc1cc(Cc2ccc(Cl)cc2)cs1",
"O=Cc1ccc(B(O)O)o1"
]
}
|
O=Cc1ccc(Cc2ccccc2)o1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "O=Cc1ccc(Cc2ccccc2)o1",
"role": "assistant"
}
] |
254
|
{
"selfies": [
"[C][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][Ring1][S]",
"[C][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][#C][O][C]"
],
"smiles": [
"CCN1CC(=O)N(C)c2cc(N)c(OC)cc2C1",
"CCNC(=O)N(CCO)Cc1cc(Nc2nc(Cl)ncc2Cl)ccc1OC"
]
}
|
CCN1CC(=O)N(C)c2cc(Nc3ncc(Cl)c(Nc4ccc(OC)c(CNCCO)c4)n3)c(OC)cc2C1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CCN1CC(=O)N(C)c2cc(Nc3ncc(Cl)c(Nc4ccc(OC)c(CNCCO)c4)n3)c(OC)cc2C1",
"role": "assistant"
}
] |
255
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][S][Ring1][=Branch2]",
"[O][=C][Branch1][C][O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1",
"O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12"
]
}
|
NCCNS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "NCCNS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1",
"role": "assistant"
}
] |
256
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#Branch2][C][S][C][=N][C][=C][O][Ring1][Branch1][=C][Ring1][S][O][C][Branch1][C][F][F]",
"[O]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Cl]"
],
"smiles": [
"CN(C)C=O",
"Cn1nc(C(F)(F)F)c(CSc2ncco2)c1OC(F)F",
"O",
"O=C1CCC(=O)N1Cl"
]
}
|
Cn1nc(C(F)(F)F)c(CSc2ncc(Cl)o2)c1OC(F)F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cn1nc(C(F)(F)F)c(CSc2ncc(Cl)o2)c1OC(F)F",
"role": "assistant"
}
] |
257
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Ring1][=N]"
],
"smiles": [
"COC(=O)C(O)c1ccc(N)cc1",
"COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21"
]
}
|
COC(=O)C(O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CCC3)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COC(=O)C(O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CCC3)cc1",
"role": "assistant"
}
] |
258
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[N][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][O][Ring1][Branch1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"C1CCOC1",
"NCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O",
"O=C(Cl)c1ccco1",
"[Na+]",
"[OH-]"
]
}
|
O=C(NC(CCNC(=O)c1ccco1)C(=O)O)OCC1c2ccccc2-c2ccccc21
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "O=C(NC(CCNC(=O)c1ccco1)C(=O)O)OCC1c2ccccc2-c2ccccc21",
"role": "assistant"
}
] |
259
|
{
"selfies": [
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Ring1][O][=O]",
"[Cl]",
"[O]",
"[C-1][#N]",
"[K+1]"
],
"smiles": [
"COc1ccc2c(c1)CCC(CN(C)C)C2=O",
"Cl",
"O",
"[C-]#N",
"[K+]"
]
}
|
COc1ccc2c(c1)CCC(CC#N)C2=O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COc1ccc2c(c1)CCC(CC#N)C2=O",
"role": "assistant"
}
] |
260
|
{
"selfies": [
"[C][C][C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][N]",
"[C][O]",
"[Pd]"
],
"smiles": [
"CCCCOc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1",
"CO",
"[Pd]"
]
}
|
CCCCOc1nc(C(F)(F)F)ccc1CCC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCCCOc1nc(C(F)(F)F)ccc1CCC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1",
"role": "assistant"
}
] |
261
|
{
"selfies": [
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][N][C][C][C][N][Branch1][N][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][C][C][Ring1][=C]",
"[C][N][Branch1][C][C][C][Branch1][#C][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N+1][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][S][C]",
"[F][B-1][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CCN(C(C)C)C(C)C",
"CCN1CCCN(C2CCC(N)CC2)CC1",
"CN(C)C(On1nnc2ccccc21)=[N+](C)C",
"CN(C)C=O",
"COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC1(CC1)C(=O)N2C",
"F[B-](F)(F)F"
]
}
|
CCN1CCCN(C2CCC(NC(=O)c3ccc(Nc4ncc5c(n4)N(C4CCCC4)CC4(CC4)C(=O)N5C)c(OC)c3)CC2)CC1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CCN1CCCN(C2CCC(NC(=O)c3ccc(Nc4ncc5c(n4)N(C4CCCC4)CC4(CC4)C(=O)N5C)c(OC)c3)CC2)CC1",
"role": "assistant"
}
] |
262
|
{
"selfies": [
"[C][=C][C][N]",
"[C][C][O]",
"[C][S][C][=Branch1][Ring2][=N][C][#N][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]"
],
"smiles": [
"C=CCN",
"CCO",
"CSC(=NC#N)NC1CCCc2ccccc21"
]
}
|
C=CCNC(=NC#N)NC1CCCc2ccccc21
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "C=CCNC(=NC#N)NC1CCCc2ccccc21",
"role": "assistant"
}
] |
263
|
{
"selfies": [
"[C][C][#N]",
"[O][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][F]"
],
"smiles": [
"CC#N",
"O=Cc1cccc(Br)c1F"
]
}
|
N#CCC(O)c1cccc(Br)c1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "N#CCC(O)c1cccc(Br)c1F",
"role": "assistant"
}
] |
264
|
{
"selfies": [
"[C][C][C][C][Sn][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][I][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][Ring1][O]",
"[Cl]",
"[Cl][Pd][Branch1][C][Cl][Branch2][Ring1][=C][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][PH1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O]",
"[Cl-1]",
"[Na+1]"
],
"smiles": [
"CCCC[Sn](CCCC)(CCCC)c1ccccc1",
"CCOC(C)=O",
"CN(C)C=O",
"COC(=O)c1nc(I)c2c(=O)n(Cc3ccccc3)ccc2c1O",
"Cl",
"Cl[Pd](Cl)([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1",
"O",
"[Cl-]",
"[Na+]"
]
}
|
COC(=O)c1nc(-c2ccccc2)c2c(=O)n(Cc3ccccc3)ccc2c1O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COC(=O)c1nc(-c2ccccc2)c2c(=O)n(Cc3ccccc3)ccc2c1O",
"role": "assistant"
}
] |
265
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Mg][Cl]",
"[C][C][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][#C][C][O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S]",
"[Cl]"
],
"smiles": [
"C1CCOC1",
"CC(C)OB(OC(C)C)OC(C)C",
"CC(C)[Mg]Cl",
"CCCCC",
"COc1ccc(COc2cc(I)ccc2Cl)cc1",
"Cl"
]
}
|
COc1ccc(COc2cc(B(O)O)ccc2Cl)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(COc2cc(B(O)O)ccc2Cl)cc1",
"role": "assistant"
}
] |
266
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O]",
"[C][S][Branch1][C][C][=O]",
"[O][O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(C)(C)CC1NC(C(=O)Nc2ccc(C#N)s2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12",
"CS(C)=O",
"OO",
"[Na+]",
"[OH-]"
]
}
|
CC(C)(C)CC1NC(C(=O)Nc2ccc(C(N)=O)s2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)CC1NC(C(=O)Nc2ccc(C(N)=O)s2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12",
"role": "assistant"
}
] |
267
|
{
"selfies": [
"[C][C][C][C][C][Branch1][C][Br][Branch1][C][Br][C][=N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Ring1][Branch2][Ring1][=C]",
"[C][S][Branch1][C][C][=O]",
"[N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O]"
],
"smiles": [
"CC1CCC(Br)(Br)c2ncc(Br)c(=O)n21",
"CS(C)=O",
"NNc1ccccc1",
"O"
]
}
|
CC1CCC(=NNc2ccccc2)c2ncc(Br)c(=O)n21
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CC1CCC(=NNc2ccccc2)c2ncc(Br)c(=O)n21",
"role": "assistant"
}
] |
268
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[Cl][C][Cl]",
"[O]",
"[O][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2]"
],
"smiles": [
"CN(C)c1ccncc1",
"CS(=O)(=O)Cl",
"ClCCl",
"O",
"OC1CCCc2cccnc21"
]
}
|
CS(=O)(=O)OC1CCCc2cccnc21
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CS(=O)(=O)OC1CCCc2cccnc21",
"role": "assistant"
}
] |
269
|
{
"selfies": [
"[C][#C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][Si][Branch1][C][C][Branch1][C][C][N][=N+1][=N-1]",
"[Cu][I]"
],
"smiles": [
"C#Cc1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12",
"CN(C)C=O",
"CO",
"C[Si](C)(C)N=[N+]=[N-]",
"[Cu]I"
]
}
|
Nc1ncnc2c1c(-c1c[nH]nn1)cn2C1OC(CO)C(O)C1O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Nc1ncnc2c1c(-c1c[nH]nn1)cn2C1OC(CO)C(O)C1O",
"role": "assistant"
}
] |
270
|
{
"selfies": [
"[Br][C][=C][C][=C][S][Ring1][Branch1]",
"[Cl][C][=C][C][=C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][O]"
],
"smiles": [
"Brc1cccs1",
"Clc1ccc(-c2c[nH]cn2)cc1"
]
}
|
Clc1ccc(-c2cn(-c3cccs3)cn2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Clc1ccc(-c2cn(-c3cccs3)cn2)cc1",
"role": "assistant"
}
] |
271
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][S-1]",
"[O]",
"[Na+1]"
],
"smiles": [
"CN(C)C=O",
"COc1ccc(F)c(F)c1",
"C[S-]",
"O",
"[Na+]"
]
}
|
COc1ccc(F)c(SC)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COc1ccc(F)c(SC)c1",
"role": "assistant"
}
] |
272
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][=N][N][=N][N][Ring1][Branch1][C]",
"[C][C][C][C][C][C]",
"[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"C1CCOC1",
"CCc1nnnn1C",
"CCCCCC",
"O=C(c1ccc(F)cc1)c1ccc(F)cc1",
"[Li]CCCC"
]
}
|
CC(c1nnnn1C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(c1nnnn1C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1",
"role": "assistant"
}
] |
273
|
{
"selfies": [
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][C][C][C][Branch1][C][N][C][Ring2][Ring1][=Branch1]",
"[Cl][C][Cl]",
"[O][=C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N]",
"[Na+1]"
],
"smiles": [
"CC(=O)O[BH-](OC(C)=O)OC(C)=O",
"CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(N)C1",
"ClCCl",
"O=C1CCC(O)(c2ncccn2)CC1",
"[Na+]"
]
}
|
CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(NC2CCC(O)(c3ncccn3)CC2)C1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(NC2CCC(O)(c3ncccn3)CC2)C1",
"role": "assistant"
}
] |
274
|
{
"selfies": [
"[C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][N][C][C][O][C]"
],
"smiles": [
"CNc1ccc(C(=O)O)cc1S(=O)(=O)Cl",
"CNCCOC"
]
}
|
CNc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCOC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CNc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCOC",
"role": "assistant"
}
] |
275
|
{
"selfies": [
"[C][C][O]",
"[N][#C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][=C][Ring1][=Branch2]",
"[N][#C][N]",
"[NaH1]"
],
"smiles": [
"CCO",
"N#Cc1ccc(N=C=S)cc1",
"N#CN",
"[NaH]"
]
}
|
CSC(=NC#N)Nc1ccc(C#N)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CSC(=NC#N)Nc1ccc(C#N)cc1",
"role": "assistant"
}
] |
276
|
{
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]",
"[N][N]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
"Cc1ccccc1",
"CO",
"COC(=O)c1ccc(C(C)C)cc1",
"NN",
"O",
"O=C([O-])O",
"[Na+]"
]
}
|
CC(C)c1ccc(C(=O)NN)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)c1ccc(C(=O)NN)cc1",
"role": "assistant"
}
] |
277
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][N][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][O][C]",
"[N][C][=Branch1][C][=O][C][S][C][Branch1][C][Cl][=N][C][=Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[N][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][C][=Ring1][=C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]"
],
"smiles": [
"CN(C)C=O",
"COc1cc2nc[nH]c2cc1OC",
"NC(=O)c1sc(Cl)nc1OCc1ccccc1C(F)(F)F",
"NC(=O)c1sc(-n2cnc3ccccc32)nc1OCc1ccccc1C(F)(F)F",
"O=C([O-])[O-]",
"[K+]"
]
}
|
COc1cc2ncn(-c3nc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COc1cc2ncn(-c3nc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC",
"role": "assistant"
}
] |
278
|
{
"selfies": [
"[C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[F][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"c1ccc2[nH]cnc2c1",
"Cc1ccccc1",
"CCOC(C)=O",
"CN(C)C=O",
"Fc1ccc(CCl)cc1",
"O",
"[H-]",
"[Na+]"
]
}
|
Fc1ccc(Cn2cnc3ccccc32)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "Fc1ccc(Cn2cnc3ccccc32)cc1",
"role": "assistant"
}
] |
279
|
{
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1]"
],
"smiles": [
"FC(F)(F)c1n[nH]c2c1CCCC2",
"O=C(CCc1ccc(Br)cc1)N1CCCC1"
]
}
|
O=C(CCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "O=C(CCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1",
"role": "assistant"
}
] |
280
|
{
"selfies": [
"[C][C][=Branch1][C][=O][O]",
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]",
"[Cl][C][C][Cl]",
"[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[Na+1]"
],
"smiles": [
"CC(=O)O",
"CC(=O)O[BH-](OC(C)=O)OC(C)=O",
"CC(C)C(=O)N1CCC(=O)CC1",
"ClCCCl",
"NCc1ccccc1Oc1ccc(Cl)cc1",
"[Na+]"
]
}
|
CC(C)C(=O)N1CCC(NCc2ccccc2Oc2ccc(Cl)cc2)CC1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)C(=O)N1CCC(NCc2ccccc2Oc2ccc(Cl)cc2)CC1",
"role": "assistant"
}
] |
281
|
{
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][NH1][C][Branch1][C][S][=N][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][C]",
"[C][C][O]",
"[Cl][C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1]",
"[Cl][C][Cl]",
"[O]",
"[Cl-1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CC(=O)c1cc2[nH]c(S)nc2cc1C",
"CCO",
"ClCc1nccc2c1OCO2",
"ClCCl",
"O",
"[Cl-]",
"[Na+]",
"[OH-]"
]
}
|
CC(=O)c1cc2nc(SCc3nccc4c3OCO4)[nH]c2cc1C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(=O)c1cc2nc(SCc3nccc4c3OCO4)[nH]c2cc1C",
"role": "assistant"
}
] |
282
|
{
"selfies": [
"[C][C][Branch1][C][C][=O]",
"[C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C]",
"[C][O][C][C][Br]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]"
],
"smiles": [
"CC(C)=O",
"CCc1c(O)ccc(Cl)c1C",
"COCCBr",
"O=C([O-])[O-]",
"[K+]"
]
}
|
COCCOc1ccc(Cl)c(C)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COCCOc1ccc(Cl)c(C)c1",
"role": "assistant"
}
] |
283
|
{
"selfies": [
"[C][O]",
"[Cl]",
"[Cl][C][Cl]",
"[N][C][C][C][S]",
"[O]",
"[O][=N+1][Branch1][C][O-1][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CO",
"Cl",
"ClCCl",
"NCCCS",
"O",
"O=[N+]([O-])CC(Cl)(Cl)Cl",
"[Na+]",
"[OH-]"
]
}
|
O=[N+]([O-])C=C1NCCCS1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "O=[N+]([O-])C=C1NCCCS1",
"role": "assistant"
}
] |
284
|
{
"selfies": [
"[C][C][Branch1][C][C][O]",
"[C][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]",
"[Cl]",
"[O][=C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"CC(C)O",
"Cc1nc2cc(N)ccc2s1",
"Cl",
"O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)c1c(F)cccc1F"
]
}
|
Cc1nc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nn5ccccc45)n3)ccc2s1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Cc1nc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nn5ccccc45)n3)ccc2s1",
"role": "assistant"
}
] |
285
|
{
"selfies": [
"[C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][O][C][=C][Ring1][P]",
"[Cl]"
],
"smiles": [
"c1ccncc1",
"COc1ccc(-c2nc3ccc(OC)cc3s2)cc1",
"Cl"
]
}
|
Oc1ccc(-c2nc3ccc(O)cc3s2)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "Oc1ccc(-c2nc3ccc(O)cc3s2)cc1",
"role": "assistant"
}
] |
286
|
{
"selfies": [
"[C][C][C][N][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Br]",
"[Cl-1]",
"[Na+1]"
],
"smiles": [
"C1CCNC1",
"CCN(C(C)C)C(C)C",
"CCOC(C)=O",
"CN(C)C=O",
"O",
"O=[N+]([O-])c1ccccc1CBr",
"[Cl-]",
"[Na+]"
]
}
|
O=[N+]([O-])c1ccccc1CN1CCCC1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccccc1CN1CCCC1",
"role": "assistant"
}
] |
287
|
{
"selfies": [
"[C][=C][NH1][C][=N][Ring1][Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][C][C][C][C]",
"[C][C][O][C][C]",
"[O]",
"[Cl-1]",
"[Na+1]"
],
"smiles": [
"c1c[nH]cn1",
"C1CCOC1",
"CC(C)(C)[Si](C)(C)Cl",
"CCCCCC",
"CCOCC",
"O",
"[Cl-]",
"[Na+]"
]
}
|
CC(C)(C)[Si](C)(C)OCCc1ccccc1CO
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CC(C)(C)[Si](C)(C)OCCc1ccccc1CO",
"role": "assistant"
}
] |
288
|
{
"selfies": [
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CO",
"COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NC(C)(C)C)c1",
"O",
"[Na+]",
"[OH-]"
]
}
|
CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1C(=O)O",
"role": "assistant"
}
] |
289
|
{
"selfies": [
"[C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=C][C][NH1][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][F][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C]",
"[C][N][Branch1][C][C][C][=O]",
"[N][C][=Branch1][C][=O][C][Cl]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"Cc1cc(=O)n(-c2cc3[nH]c(=O)sc3cc2F)c(=O)n1C",
"CN(C)C=O",
"NC(=O)CCl",
"O",
"[H-]",
"[Na+]"
]
}
|
Cc1cc(=O)n(-c2cc3c(cc2F)sc(=O)n3CC(N)=O)c(=O)n1C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1cc(=O)n(-c2cc3c(cc2F)sc(=O)n3CC(N)=O)c(=O)n1C",
"role": "assistant"
}
] |
290
|
{
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O][C][C][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[N-1][=N+1][=N][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"Cc1ccccc1",
"CCCCCC",
"CCN(CC)CC",
"CCO",
"CCOC(C)=O",
"ClCCl",
"O=C(O)CCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1",
"[N-]=[N+]=NP(=O)(Oc1ccccc1)Oc1ccccc1"
]
}
|
CCOC(=O)NCCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CCOC(=O)NCCC(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1",
"role": "assistant"
}
] |
291
|
{
"selfies": [
"[C][C][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]",
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[C][C][Branch1][C][C][O][B][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Ring1][=N][Branch1][C][C][C]",
"[C][C][C][=N][O][C][Branch2][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][#C]",
"[Cl][Pd][Cl]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Cs+1]"
],
"smiles": [
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C1COCCO1",
"CC1(C)OB(c2ccc(F)cc2)OC1(C)C",
"CCc1noc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(Br)cc32)n1",
"Cl[Pd]Cl",
"O=C([O-])[O-]",
"[Cs+]"
]
}
|
CCc1noc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(-c4ccc(F)cc4)cc32)n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CCc1noc(Cn2c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3sc(-c4ccc(F)cc4)cc32)n1",
"role": "assistant"
}
] |
292
|
{
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][=O]",
"[O][C][C][C][C][N][C][Ring1][Branch1]"
],
"smiles": [
"C1CCOC1",
"CC(C)(C)OC(=O)OC(C)(C)C",
"O=C=O",
"OCC1CCNC1"
]
}
|
CC(C)(C)OC(=O)N1CCC(CO)C1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)N1CCC(CO)C1",
"role": "assistant"
}
] |
293
|
{
"selfies": [
"[C][C][=Branch1][C][=O][O]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=N+1][Ring1][=Branch2][O-1]",
"[Pd]"
],
"smiles": [
"CC(=O)O",
"O=C(O)c1cc([N+](=O)[O-])cc[n+]1[O-]",
"[Pd]"
]
}
|
Nc1ccnc(C(=O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "Nc1ccnc(C(=O)O)c1",
"role": "assistant"
}
] |
294
|
{
"selfies": [
"[C][N]",
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][#N][C][=C][Ring1][N]"
],
"smiles": [
"CN",
"CO",
"COC(=O)CCc1ccc(NC(C)(C)C#N)cc1"
]
}
|
CNC(=O)CCc1ccc(NC(C)(C)C#N)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CNC(=O)CCc1ccc(NC(C)(C)C#N)cc1",
"role": "assistant"
}
] |
295
|
{
"selfies": [
"[C][C][O][C][Branch1][C][C][=O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1]",
"[H][H]",
"[Ni]"
],
"smiles": [
"CCOC(C)=O",
"COC(=O)c1cc([N+](=O)[O-])c(Oc2ccc(C)cc2)c(S(N)(=O)=O)c1",
"[H][H]",
"[Ni]"
]
}
|
COC(=O)c1cc(N)c(Oc2ccc(C)cc2)c(S(N)(=O)=O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COC(=O)c1cc(N)c(Oc2ccc(C)cc2)c(S(N)(=O)=O)c1",
"role": "assistant"
}
] |
296
|
{
"selfies": [
"[C][C][C][C][N][=C][=O]",
"[C][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1]"
],
"smiles": [
"CCCCN=C=O",
"COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1"
]
}
|
CCCCN1C(=O)C2Cc3c([nH]c4ccccc34)C(c3ccccc3)N2C1=O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CCCCN1C(=O)C2Cc3c([nH]c4ccccc34)C(c3ccccc3)N2C1=O",
"role": "assistant"
}
] |
297
|
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N]"
],
"smiles": [
"CN(C)C=O",
"ClC(Cl)Cl",
"O=C(Cl)C(=O)Cl",
"O=C(O)c1ccc(N2CCOCC2)nc1"
]
}
|
O=C(Cl)c1ccc(N2CCOCC2)nc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "O=C(Cl)c1ccc(N2CCOCC2)nc1",
"role": "assistant"
}
] |
298
|
{
"selfies": [
"[C][=C][C][=C][Branch2][Ring1][#Branch1][O][P][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]",
"[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O]",
"[O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1",
"CCNc1ccccc1",
"O",
"OCCc1ccccc1"
]
}
|
CCN(CCc1ccccc1)c1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCN(CCc1ccccc1)c1ccccc1",
"role": "assistant"
}
] |
299
|
{
"selfies": [
"[C][C][C][C][C][C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O][B][Branch1][C][F][O][C]",
"[F][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]",
"[O][=C][Branch1][C][O][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]",
"[Li][C][Branch1][C][C][C][C]"
],
"smiles": [
"C1CCCCC1",
"C1CCOC1",
"COB(F)OC",
"Fc1ccc(OC(F)(F)F)cc1",
"O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",
"[Li]C(C)CC"
]
}
|
OB(O)c1cc(OC(F)(F)F)ccc1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "OB(O)c1cc(OC(F)(F)F)ccc1F",
"role": "assistant"
}
] |
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