N-Acetylsulfanilyl chloride → 3-(4-Acetamidobenzenesulfonamido)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

반응식

[C:19]([CH3:20])(=[O:21])[NH:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[Cl:32])[cH:27][cH:28]1.[NH2:1][CH2:2][C:3]([CH2:4][n:5]1[n:6][cH:7][n:8][cH:9]1)([OH:10])[c:11]1[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1>>[NH:1]([CH2:2][C:3]([CH2:4][n:5]1[n:6][cH:7][n:8][cH:9]1)([OH:10])[c:11]1[c:12]([Cl:18])[cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[S:29]([c:26]1[cH:25][cH:24][c:23]([NH:22][C:19]([CH3:20])=[O:21])[cH:28][cH:27]1)(=[O:30])=[O:31]

참가 물질

반응물 2

HCID 8481N-Acetylsulfanilyl chloride

HCID 147065211-[3-Amino-2-(2,4-dichlorophenyl)-2-hydroxyprop-1-yl]-1H-1,2,4-triazole

생성물 1

HCID 189579743-(4-Acetamidobenzenesulfonamido)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

출처 및 근거

ORD 기록: ord-29de8f34742c45e9a59e18266c6b251a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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