problem
stringlengths 306
1.39k
| answer
stringlengths 34
253
|
|---|---|
Using tert-butyl 3-methyl-1H-pyrazolo[3,4-b]pyridine-1-carboxylate, 1-bromopyrrolidine-2,5-dione to produce 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using dioxane, 4-(2-amino-4-methyl-3,4-dihydropyrimidin-4-yl)but-3-yn-2-ol to produce 4-ethynyl-6-methylpyrimidin-2-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Na+]", "[OH-]"]} |
Using tert-butyl ((4-fluoro-5-(2-fluoropyridin-3-yl)-1H-pyrrol-3-yl)methyl)(methyl)carbamate, pyridine-2-sulfonyl chloride to produce tert-butyl ((4-fluoro-5-(2-fluoropyridin-3-yl)-1-(pyridin-2-ylsulfonyl)-1H-pyrrol-3-yl)methyl)(methyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "C1COCCOCCOCCOCCO1", "[H-]"]} |
Using ammonium, 4-(2-propyl-1H-imidazo[4,5-c][1,5]naphthyridin-1-yl)butanal O-methyl oxime to produce 4-(4-amino-2-propyl-1H-imidazo[4,5-c][1,5]naphthyridin-1-yl)butanal O-methyl oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["Cc1ccc(S(=O)(=O)Cl)cc1", "[OH-]", "O=C(OO)c1cccc(Cl)c1"]} |
Using 3-((3-bromophenyl)thio)propan-1-ol, (4-cyanophenyl)boronic acid to produce 4'-((3-hydroxypropyl)thio)-[1,1'-biphenyl]-2-carbonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "O"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using 7-bromochroman-4-one, hydroxylamine to produce 7-bromochroman-4-one oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using 2-chloropyridine, phenylboronic acid to produce 2-phenylpyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using tert-butyl ((1H-imidazol-2-yl)methyl)(4-(4-((bis((1H-imidazol-2-yl)methyl)amino)methyl)benzamido)benzyl)carbamate to produce N-(4-((((1H-imidazol-2-yl)methyl)amino)methyl)phenyl)-4-((bis((1H-imidazol-2-yl)methyl)amino)methyl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using N1,N1-diethylpentane-1,4-diamine, quinoline-4-carbonyl chloride to produce N-(5-(diethylamino)pentan-2-yl)quinoline-4-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCN(CC)CC"], "agent": ["Cl"]} |
Using (3-cyano-5-fluorophenyl)boronic acid, 6-bromo-2,4-dimethyl-4-phenyl-1,4-dihydro-2H-benzo[d][1,3]oxazine to produce 3-((2R,4S)-2,4-dimethyl-4-phenyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluorobenzonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using 8-nitrobenzo[f][1,7]naphthyridin-5-amine, dichloromethane to produce 3-chlorobenzo[f][1,7]naphthyridine-5,8-diamine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Ni]"]} |
Using methyl 2-(4-hydroxyphenyl)-2-oxoacetate, 1-chloro-2,3-epoxypropane to produce methyl 2-(4-(oxiran-2-ylmethoxy)phenyl)-2-oxoacetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 1-fluoro-4-nitrobenzene, pyrocatechol to produce 2-(4-nitrophenoxy)phenol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)N(C)C"], "agent": ["CC(C)(C)[O-]", "[K+]", "Cl"]} |
Using 4-chloro-2-(6-methylpyridin-2-yl)-6-(pyridin-3-yl)pyrimidine, 2-(1H-indol-3-yl)ethan-1-amine to produce N-(2-(1H-indol-3-yl)ethyl)-2-(6-methylpyridin-2-yl)-6-(pyridin-3-yl)pyrimidin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN1CCCC1=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 1-azido-3-(3-chlorophenoxy)propan-2-ol to produce 1-amino-3-(3-chlorophenoxy)propan-2-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using 4,5-dichloro-2-fluorobenzaldehyde, 4-fluoro-2-methoxyphenol to produce 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using methyl 4-(6-chloro-2-(4-(methylsulfonyl)benzyl)-1-oxo-3-propionyl-1,2-dihydroisoquinolin-4-yl)benzoate to produce 4-(6-chloro-2-(4-(methylsulfonyl)benzyl)-1-oxo-3-propionyl-1,2-dihydroisoquinolin-4-yl)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 4-hydroxybenzaldehyde, tert-butylchlorodimethylsilane to produce 4-((tert-butyldimethylsilyl)oxy)benzaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["c1c[nH]cn1"]} |
Using 2-oxo-3-(2-phenylacetamido)azetidin-1-yl benzoate to produce N-(1-hydroxy-2-oxoazetidin-3-yl)-2-phenylacetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using 4-((2-fluoro-4-iodophenyl)amino)-5-nitropyridin-2(1H)-one, iodomethane to produce 4-((2-fluoro-4-iodophenyl)amino)-1-methyl-5-nitropyridin-2(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using methanethiolate, 1,2-difluoro-4,5-dimethoxybenzene to produce 5-fluoro-2-methoxy-4-(methylthio)phenol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "Cl"]} |
Using 1,2-dimethoxyethane, 4-bromo-2-fluoro-5-methylaniline to produce 2-fluoro-5-methyl-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)aniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[F-]", "[Cs+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using ethyl 2-(4-(difluoromethoxy)benzamido)cyclohex-1-ene-1-carboxylate to produce ethyl (1S,2R)-2-(4-(difluoromethoxy)benzamido)cyclohexane-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["F[B-](F)(F)F", "[H+]", "[H][H]"]} |
Using ((2R,4S)-4-amino-2-benzylpiperidin-1-yl)(3,5-dichlorophenyl)methanone, benzophenone to produce ((2R,4S)-4-(benzhydrylamino)-2-benzylpiperidin-1-yl)(3,5-dichlorophenyl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "Cc1ccccc1"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using methyl 2-cyano-2-(4-methoxy-5-methyl-2-nitrophenyl)acetate to produce 2-(4-methoxy-5-methyl-2-nitrophenyl)acetonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using N,3-diphenylpropiolamide, 5-(bromomethyl)-1,2,3-trimethoxybenzene to produce N,3-diphenyl-N-(3,4,5-trimethoxybenzyl)propiolamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using 4-methoxy-3-(tetradecyloxy)benzoyl chloride, N-(pyridin-2-ylmethyl)acetamide to produce N-acetyl-4-methoxy-N-(pyridin-2-ylmethyl)-3-(tetradecyloxy)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using ethyl 4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-(trifluoromethyl)benzoate to produce 4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-(trifluoromethyl)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Li+]", "[OH-]"]} |
Using 1-((2R,3R,4S,5R)-5-((((((((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium to produce NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)O"], "agent": ["NC(CO)(CO)CO", "Cl"]} |
Using tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate, 4-chloro-5-ethyl-1H-imidazole-2-carboxylic acid to produce tert-butyl (3R,4S)-4-(4-chloro-5-ethyl-1H-imidazole-2-carboxamido)-3-ethoxypiperidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CC(=O)N(C)C"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using methyl 4-((methyl(piperidin-2-ylmethyl)amino)methyl)benzoate, 4-(4-bromophenoxy)benzaldehyde to produce 4-((((1-(4-(4-bromophenoxy)benzyl)piperidin-2-yl)methyl)(methyl)amino)methyl)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(Cl)Cl", "CCN(C(C)C)C(C)C"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "Cl"]} |
Using methyl 2-(4-((3-(3-bromo-5-(3-morpholinoprop-1-yn-1-yl)phenyl)prop-2-yn-1-yl)oxy)-2-methylphenoxy)acetate, 1-chloro-4-ethynylbenzene to produce methyl 2-(4-((3-(3-((4-chlorophenyl)ethynyl)-5-(3-morpholinoprop-1-yn-1-yl)phenyl)prop-2-yn-1-yl)oxy)-2-methylphenoxy)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using ethyl 2,4-dichloronicotinate to produce (2,4-dichloropyridin-3-yl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)C[Al+]CC(C)C", "[H-]"]} |
Using (2-(trifluoromethyl)-1H-indol-5-yl)methanamine, 6-(3-ethoxyphenyl)nicotinic acid to produce 6-(3-ethoxyphenyl)-N-((2-(trifluoromethyl)-1H-indol-5-yl)methyl)nicotinamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using glycine, ethyl 4-acetoxy-3-chloro-7-cyano-1-(2-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate to produce (3-chloro-7-cyano-1-(2-fluorobenzyl)-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)glycine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using 1-(4-bromophenyl)piperidin-4-one to produce 1-(4-bromophenyl)piperidin-4-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using 1-((4-(chloromethyl)-1-isopentyl-1H-benzo[d]imidazol-2-yl)methyl)-3-isopropyl-1,3-dihydro-2H-benzo[d]imidazol-2-one, cyanide to produce 2-(1-isopentyl-2-((3-isopropyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d]imidazol-4-yl)acetonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["[Na+]", "Cl"]} |
Using 3-((4-(2-(cyclohexylmethoxy)phenethyl)piperidin-1-yl)methyl)-2-methoxy-5-(methylsulfonyl)pyridine to produce 3-((4-(2-(cyclohexylmethoxy)phenethyl)piperidin-1-yl)methyl)-5-(methylsulfonyl)pyridin-2(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=S(Cl)Cl", "CCO"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using carbonate, N-(4-(tert-butyl)-2-hydroxybenzyl)-N-(4-fluorophenethyl)-1H-indole-7-carboxamide to produce N-(4-(tert-butyl)-2-methoxybenzyl)-N-(4-fluorophenethyl)-1H-indole-7-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "CI"], "agent": ["[K+]"]} |
Using 3-(3-((5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino)propoxy)propanenitrile, azidotrimethylsilane to produce N-(3-(2-(1H-tetrazol-5-yl)ethoxy)propyl)-5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["CCCC[Sn](=O)CCCC"]} |
Using benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoate to produce 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Pd]"]} |
Using naphthalen-2-ol, 1-bromo-3-chloropropane to produce 2-(3-chloropropoxy)naphthalene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using tetrahydro-4H-pyran-4-one, (S)-N-(3-(tert-butyl)isoxazol-5-yl)azetidine-2-carboxamide to produce (S)-N-(3-(tert-butyl)isoxazol-5-yl)-1-(tetrahydro-2H-pyran-4-yl)azetidine-2-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "CN(C)C=O"], "agent": ["[BH3-]C#N", "[Na+]", "Cl"]} |
Using methyl (S)-4-((1-(2-(5-chloro-2-fluoro-4-(1-methyl-1H-indole-3-carboxamido)phenyl)acetyl)-4,4-difluoropyrrolidin-2-yl)methoxy)cyclohexane-1-carboxylate to produce (1S,4r)-4-(((S)-1-(2-(5-chloro-2-fluoro-4-(1-methyl-1H-indole-3-carboxamido)phenyl)acetyl)-4,4-difluoropyrrolidin-2-yl)methoxy)cyclohexane-1-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using methyl (S)-6-(benzyloxy)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)hex-4-enoate to produce methyl (S)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-6-hydroxyhexanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Pd]"]} |
Using ethyl 3-((4-(benzyloxy)-3-methylquinolin-2-yl)methoxy)-5-hydroxybenzoate, 4-(bromomethyl)tetrahydro-2H-pyran to produce ethyl 3-((4-(benzyloxy)-3-methylquinolin-2-yl)methoxy)-5-((tetrahydro-2H-pyran-4-yl)methoxy)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using N-(1-(5-ethyl-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)benzamide to produce N-(1-(5-ethyl-1H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using ethyl 6-chloro-2-isopropyl-4-(2-methoxybenzyl)quinoline-3-carboxylate to produce 6-chloro-2-isopropyl-4-(2-methoxybenzyl)quinoline-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["[Li+]", "[I-]"]} |
Using tert-butyl (5-chloro-2-nitro-4-(trifluoromethyl)phenyl)carbamate to produce tert-butyl (2-amino-5-chloro-4-(trifluoromethyl)phenyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cl[Sn]Cl"]} |
Using diethyl 2-(2,2-dimethoxyethyl)malonate to produce methyl 4,4-dimethoxybutanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]", "O=C=O"]} |
Using 6-methyl-5-nitrophthalazin-1(2H)-one to produce 5-amino-6-methylphthalazin-1(2H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Pd]"]} |
Using ethyl 1-(tert-butyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate to produce 1-(tert-butyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using methyl 2-(1-(2-(2,5-dimethylphenyl)acetyl)piperidin-4-yl)oxazole-4-carboxylate to produce 2-(1-(2-(2,5-dimethylphenyl)acetyl)piperidin-4-yl)oxazole-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Cl-]", "[Na+]", "[OH-]"]} |
Using ethyl 3-ethoxy-3-(4-hydroxyphenyl)propanoate, (4-(trifluoromethyl)phenyl)methanol to produce ethyl 3-ethoxy-3-(4-((4-(trifluoromethyl)benzyl)oxy)phenyl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using 2-amino-3-fluorobenzonitrile, 4-azido-5-fluoronicotinaldehyde to produce (E)-2-(((4-azido-5-fluoropyridin-3-yl)methylene)amino)-3-fluorobenzonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["Cl[Ti](Cl)(Cl)Cl"]} |
Using tert-butyl 4,4-difluoro-2-((4-(methoxycarbonyl)phenoxy)methyl)pyrrolidine-1-carboxylate to produce methyl 4-((4,4-difluoropyrrolidin-2-yl)methoxy)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using hydroxylamine, ethyl 2-(4-propionylphenoxy)acetate to produce ethyl 2-(4-(1-(hydroxyimino)propyl)phenoxy)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "CC(=O)[O-]", "Cl"]} |
Using piperidin-3-ol, diphenylmethanol to produce 3-(benzhydryloxy)piperidine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using iodomethane, (S)-2-((tert-butoxycarbonyl)amino)-3-hydroxy-3-methylbutanoic acid to produce (S)-2-((tert-butoxycarbonyl)amino)-3-methoxy-3-methylbutanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 1-(bromomethyl)-2-fluorobenzene, methyl 4-hydroxybenzoate to produce methyl 4-((2-fluorobenzyl)oxy)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using ethyl 3-(pyridin-3-yl)isoxazole-5-carboxylate to produce 3-(pyridin-3-yl)isoxazole-5-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using diisobutylaluminum(III), methyl 1-(2-(5-(2-aminopyrimidin-5-yl)-1-(tert-butyl)-1H-benzo[d]imidazol-2-yl)-4-cyanophenyl)-1H-1,2,4-triazole-3-carboxylate to produce isobutyl 1-(2-(5-(2-aminopyrimidin-5-yl)-1-(tert-butyl)-1H-benzo[d]imidazol-2-yl)-4-cyanophenyl)-1H-1,2,4-triazole-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Cl-]", "[NH4+]", "[H-]"]} |
Using 3,3-dimethylpyrrolidine, 4-(but-2-yn-1-yloxy)-6-chloropyrimidine to produce 4-(but-2-yn-1-yloxy)-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 4-phenoxybutane-1-sulfonyl chloride, fluoride to produce 4-phenoxybutane-1-sulfonyl fluoride, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["[NH4+]"]} |
Using 1H-1,2,4-triazole, (3-((4-((2-(furan-2-yl)-5-methyloxazol-4-yl)methoxy)-3-methoxybenzyl)oxy)-1-phenyl-1H-pyrazol-5-yl)methanol to produce 4-((4-(((5-((1H-1,2,4-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)oxy)methyl)-2-methoxyphenoxy)methyl)-2-(furan-2-yl)-5-methyloxazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "C1CCOC1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using ethanethiol, ethyl 2-chloro-4-methyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carboxylate to produce ethyl 2-(ethylthio)-4-methyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using carbonate, 4-(4-hydroxyphenyl)cyclohexan-1-one to produce 4-(4-methoxyphenyl)cyclohexan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CI", "CC(C)=O"], "agent": ["[K+]"]} |
Using 1-(4-nitrophenyl)piperidine-4-carboxylic acid to produce (1-(4-nitrophenyl)piperidin-4-yl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["B"]} |
Using bromobenzene, (2-ethynylpiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone to produce (2-methyl-5-phenylthiazol-4-yl)(2-(phenylethynyl)piperidin-1-yl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using benzoic acid, (4aR,10bR)-8-(3-aminophenyl)-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydrobenzo[f]quinolin-3(2H)-one to produce N-(3-((4aR,10bR)-4,10b-dimethyl-3-oxo-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-8-yl)phenyl)benzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C"]} |
Using 2-bromoethyl (1-(3-((R)-1-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl)ureido)-2-methylpropan-2-yl) carbonate, morpholine to produce 1-(3-((R)-1-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl)ureido)-2-methylpropan-2-yl (2-morpholinoethyl) carbonate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using ethyl 1-(tert-butyl)-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate to produce 4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "CCOCC"], "agent": ["Cl"]} |
Using ethyl 3-(1-(4-(benzyloxy)benzyl)-3-ethoxy-1H-pyrazol-4-yl)propanoate to produce 3-(1-(4-(benzyloxy)benzyl)-3-ethoxy-1H-pyrazol-4-yl)propanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 1-(prop-1-en-2-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one to produce 1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CI"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using diiodine, 3'-methoxy-2-methyl-[1,1'-biphenyl]-4-amine to produce 4-iodo-3'-methoxy-2-methyl-1,1'-biphenyl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["CC(C)CCON=O"]} |
Using hydrogen carbonate, 1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid to produce 1-(tert-butyl) 4-methyl 4-phenylpiperidine-1,4-dicarboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]"]} |
Using 2-(thiazol-2-yl)but-3-yn-2-ol, 5-chloro-4-(6-iodo-1H-indazol-1-yl)pyrimidin-2-amine to produce 4-(1-(2-amino-5-chloropyrimidin-4-yl)-1H-indazol-6-yl)-2-(thiazol-2-yl)but-3-yn-2-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCNCC1"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using furan-3-yl(1H-pyrrolo[2,3-c]pyridin-2-yl)methanone, tert-butyl (2-(aminooxy)ethyl)carbamate to produce tert-butyl (2-(((furan-3-yl(1H-pyrrolo[2,3-c]pyridin-2-yl)methylene)amino)oxy)ethyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using ethyl 6-((2-formyl-4-oxo-6-((pivaloyloxy)methyl)-4H-pyran-3-yl)oxy)hexanoate, dimethyl (2-oxoheptyl)phosphonate to produce ethyl (E)-6-((4-oxo-2-(3-oxooct-1-en-1-yl)-6-((pivaloyloxy)methyl)-4H-pyran-3-yl)oxy)hexanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 3-cyclopentyl-N-methoxy-N-methyl-2-(5-(methylthio)pyridin-2-yl)propanamide, vinylmagnesium bromide to produce 5-cyclopentyl-4-(5-(methylthio)pyridin-2-yl)pent-1-en-3-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["Cl"]} |
Using cyanic bromide, 3-(benzylthio)-1-phenyl-1H-1,2,4-triazole to produce 3-(benzylthio)-5-bromo-1-phenyl-1H-1,2,4-triazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using ethyl 2-chloro-4,5-bis((4-methoxybenzyl)oxy)benzoate to produce 2-chloro-4,5-bis((4-methoxybenzyl)oxy)benzoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using tert-butyl 4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-4-fluoropiperidine-1-carboxylate to produce 4-(2-((tert-butyldiphenylsilyl)oxy)ethyl)-4-fluoropiperidine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["N"]} |
Using 1-(2-nitrophenyl)cyclohexan-1-ol to produce 1-(2-aminophenyl)cyclohexan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Ni]"]} |
Using 1,2-dibromoethane, 5-fluoro-2-(1H-imidazol-2-yl)phenol to produce 9-fluoro-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using N-(4-chloro-3-methylisoxazol-5-yl)-2-((2,6-dimethoxyphenyl)(hydroxy)methyl)-N-((2-methoxyethoxy)methyl)thieno[2,3-b]pyridine-3-sulfonamide to produce N-(4-chloro-3-methylisoxazol-5-yl)-2-(2,6-dimethoxybenzyl)-N-((2-methoxyethoxy)methyl)thieno[2,3-b]pyridine-3-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "ClCCl"], "agent": ["FB(F)F", "CC[SiH](CC)CC"]} |
Using (2S,3R,4R,5S,6R)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, (tert-butoxycarbonyl)-L-isoleucine to produce ((2R,3S,4R,5R,6S)-6-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl (tert-butoxycarbonyl)-L-isoleucinate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1", "Cl"]} |
Using 4'-chloro-4-ethyl-3-nitro-1,1'-biphenyl to produce 4'-chloro-4-ethyl-[1,1'-biphenyl]-3-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Using 1,4-dibenzyl-N,N-dimethylpiperidin-4-amine to produce 4-benzyl-N,N-dimethylpiperidin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=CO", "CO"], "agent": ["O=C[O-]", "[NH4+]", "[Pd]"]} |
Using diethylether, 1-(2,6-dimethyl-3-(3-methyl-5-(6-methylpyridin-2-yl)thiophen-2-yl)imidazo[1,2-b]pyridazin-8-yl)propan-1-one to produce 3-(2,6-dimethyl-3-(3-methyl-5-(6-methylpyridin-2-yl)thiophen-2-yl)imidazo[1,2-b]pyridazin-8-yl)pentan-3-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["CC[Mg]Br"]} |
Using 2-chloro-5-(chloromethyl)pyridine, methyl 6-bromo-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylate to produce methyl 6-bromo-2-((6-chloropyridin-3-yl)methyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 5-(chloromethyl)-N-isopropyl-2-(methylthio)pyrimidin-4-amine, 3-amino-5-nitrobenzonitrile to produce 3-(((4-(isopropylamino)-2-(methylthio)pyrimidin-5-yl)methyl)amino)-5-nitrobenzonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "CCN(C(C)C)C(C)C"], "agent": ["[Na+]", "[I-]"]} |
Using (3-chloro-4-fluorophenyl)boronic acid, 6-bromopicolinaldehyde to produce 6-(3-chloro-4-fluorophenyl)picolinaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using 2,4,6-trimethylpyridine, diethylcarbonate to produce 2-(2,6-dimethylpyridin-4-yl)acetic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]", "[OH-]"]} |
Using (5-hydroxy-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-(4-nitrophenyl)quinazolin-4-yl)methanone to produce (2-(4-aminophenyl)quinazolin-4-yl)(5-hydroxy-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Fe]", "[Cl-]", "[NH4+]"]} |
Using N-(2-(4-(benzyloxy)phenyl)-2-oxoethyl)benzenesulfonamide, iodobenzene to produce N-(2-(4-(benzyloxy)phenyl)-2-hydroxy-2-phenylethyl)benzenesulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "BrCCBr"], "agent": ["[Mg]", "[Cl-]", "[NH4+]"]} |
Using diethyl oxalate, 1,3-dimethoxybenzene to produce ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCCCCC"], "agent": ["[Li]CCCC", "Cl", "CN(C)CCN(C)C"]} |
Using methyl 7-iodoheptanoate, methyl (E)-2-oxo-4-(1-(phenylthio)oct-2-en-1-yl)tetrahydrofuran-3-carboxylate to produce methyl (E)-3-(7-methoxy-7-oxoheptyl)-2-oxo-4-(1-(phenylthio)oct-2-en-1-yl)tetrahydrofuran-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["CC(C)(C)[O-]", "[K+]", "Cl"]} |
Using ethyl 2-(1-(2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)piperidin-4-yl)-2H-1,2,3-triazole-4-carboxylate to produce 2-(1-(2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)piperidin-4-yl)-2H-1,2,3-triazole-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using N-allyl-N-(2-bromo-5-nitrophenyl)methanesulfonamide to produce 3-methyl-1-(methylsulfonyl)-6-nitro-1H-indole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "CCN(C(C)C)C(C)C"], "agent": ["CC(=O)[O-]", "[Pd+2]"]} |
End of preview. Expand
in Data Studio
- Downloads last month
- 79