Methanol → 3-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]-benzoic acid-[2,3,4-trihydroxy-butyl)-amide

반응식

[CH3:36][OH:37].[OH2:35].[OH:1][CH:2]([CH2:3][NH:4][C:5]([c:6]1[cH:7][c:8]([S:12]([NH:13][c:14]2[c:15]([C:21]([F:22])([F:23])[F:24])[cH:16][c:17]([F:20])[cH:18][cH:19]2)(=[O:25])=[O:26])[cH:9][cH:10][cH:11]1)=[O:27])[CH:28]1[O:29][C:30]([CH3:33])([CH3:34])[O:31][CH2:32]1>>[OH:1][CH:2]([CH2:3][NH:4][C:5]([c:6]1[cH:7][c:8]([S:12]([NH:13][c:14]2[c:15]([C:21]([F:22])([F:23])[F:24])[cH:16][c:17]([F:20])[cH:18][cH:19]2)(=[O:25])=[O:26])[cH:9][cH:10][cH:11]1)=[O:27])[CH:28]([OH:29])[CH2:32][OH:31]

참가 물질

반응물 3

HCID 887Methanol

HCID 962Water

HCID 150576153-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]-benzoic acid-[2-hydroxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-ethylamide]

생성물 1

HCID 150576163-[N-(4-Fluoro-2-trifluoromethylphenyl)sulfamoyl]-benzoic acid-[2,3,4-trihydroxy-butyl)-amide

출처 및 근거

ORD 기록: ord-b8e176a7b80c480dbd3923fe20a1dfb5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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