Dichloromethane → 5'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate

반응식

[CH3:22][N:23]([S:24](=[O:25])(=[O:26])[Cl:27])[CH3:28].[Cl:29][CH2:30][Cl:31].[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:20]#[N:21])[c:11](-[c:13]3[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]3)[cH:12]2)[n:2][cH:3][n:4][cH:5]1>>[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:20]#[N:21])[c:11](-[c:13]3[cH:14][cH:15][c:16]([O:19][S:24]([N:23]([CH3:22])[CH3:28])(=[O:25])=[O:26])[cH:17][cH:18]3)[cH:12]2)[n:2][cH:3][n:4][cH:5]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 83372Dimethylsulphamoyl chloride

HCID 235857225-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-2-carbonitrile

생성물 1

HCID 451409545'-((1H-1,2,4-triazol-1-yl)methyl)-2'-cyanobiphenyl-4-yl dimethylsulfamate

출처 및 근거

ORD 기록: ord-a10a8f59c9574b06b53ecd5ca4938248
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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