部分構造検索

N#Cc1ccccc1S

N#Cc1c(Sc2ccccc2)cccc1[N+](=O)[O-]
Reaction #929
2-nitro-6-(phenylthio)benzonitrile
収率 89.0%DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1c(N)cccc1Sc1ccccc1
Reaction #930
2-Amino-6-(phenylthio)benzonitrile
DOI: 10.6084/m9.figshare.5104873.v1
Cc1cc(C)cc(Sc2cccc([N+](=O)[O-])c2C#N)c1
Reaction #931
2-[(3,5-dimethylphenyl)thio]-6-nitrobenzonitrile
収率 73011.2%DOI: 10.6084/m9.figshare.5104873.v1
Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1
Reaction #932
2-amino-6-[(3,5-dimethylphenyl)thio]benzonitrile
収率 64.0%DOI: 10.6084/m9.figshare.5104873.v1
COc1cccc(S(=O)(=O)c2cccc(F)c2C#N)c1
Reaction #933
2-Fluoro-6-[(3 -methoxyphenyl)sulfonyl]benzonitrile
DOI: 10.6084/m9.figshare.5104873.v1
COc1cccc(S(=O)(=O)c2cccc(N)c2C#N)c1
Reaction #934
2-Amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrile
DOI: 10.6084/m9.figshare.5104873.v1
COc1cccc(S(=O)c2cccc(F)c2C#N)c1
Reaction #935
2-Fluoro-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
DOI: 10.6084/m9.figshare.5104873.v1
COc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1
Reaction #943
2-amino-6-[(3-methyl-5-methoxyphenyl)sulfonyl]benzonitrile
収率 34.0%DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1ccc(S)c(C#N)c1
Reaction #6115
expected product
収率 81.0%DOI: 10.6084/m9.figshare.5104873.v1
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C#N)cc2C#N)SC[C@H]1OC(C)=O
Reaction #6116
expected product
収率 40.5%DOI: 10.6084/m9.figshare.5104873.v1
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C#N)cc2C#N)SC[C@H]1OC(C)=O
Reaction #6117
expected product
収率 47.9%DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1cc(C#N)c(S)c(C#N)c1
Reaction #6119
expected product
DOI: 10.6084/m9.figshare.5104873.v1
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2c(C#N)cc(C#N)cc2C#N)SC[C@H]1OC(C)=O
Reaction #6120
expected product
収率 17.0%DOI: 10.6084/m9.figshare.5104873.v1
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccccc3C#N)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
Reaction #49457
4-(2-cyanobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
収率 88.0%DOI: 10.6084/m9.figshare.5104873.v1
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccccc3C#N)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
Reaction #49573
4-(2-cyanobenzenesulfonyloxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
収率 88.0%DOI: 10.6084/m9.figshare.5104873.v1
COc1cc(-c2cc3cc(CN4CCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(=O)(=O)c1ccccc1C#N)CNC2=O
Reaction #49577
4-(2-cyanobenzenesulfonyloxy)-5-methoxy-7-[1-(tert-butoxycarbonyl)-5-(pyrrolidin-1-ylmethyl)indol-2-yl]isoindolinone
DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1SCC1CCC1
Reaction #53556
2-cyclobutylmethylthio-4-(3-trifluoromethylpyrazolyl)benzonitrile
収率 21.6%DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1SCC(F)(F)F
Reaction #53559
2-(2,2,2-trifluoroethylthio)-4-(3-trifluoromethylpyrazolyl)benzonitrile
収率 142.3%DOI: 10.6084/m9.figshare.5104873.v1
CCCSc1cc(N2C=CN(C(F)(F)F)N2)ccc1C#N
Reaction #53563
2-propylthio-4-(3-trifluoromethyl-1H-triazolyl)benzonitrile
収率 38.2%DOI: 10.6084/m9.figshare.5104873.v1
N#Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1S
Reaction #53581
2-mercapto-4-(3-trifluoromethylpyrazolyl)benzonitrile
収率 97.6%DOI: 10.6084/m9.figshare.5104873.v1
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