Ethanol → 4-[3-(4-chloro-2-phenylaminophenyl)-3-oxo-propyl]-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide

반응식

[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[cH:3][c:4]([NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:5]([C:8]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25])[cH:15][cH:16]2)=[O:26])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:5]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25])[cH:15][cH:16]2)=[O:26])[cH:6][cH:7]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 8857Ethyl Acetate

HCID 66815809HCID 66815809, 화합물

생성물 1

HCID 598461744-[3-(4-chloro-2-phenylaminophenyl)-3-oxo-propyl]-N-(2-hydroxy-2-methylpropyl)-benzenesulfonamide

출처 및 근거

ORD 기록: ord-f55d4789e2bb4e0f874ba633fee7bab2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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