Ethanol → Cgs 22652

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 536622708-(p-Chlorophenylsulfonamido)-4-[3-(3-pyridyl)-2-propenyl]-octanoic acid

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 131717Cgs 22652

출처 및 근거

ORD 기록: ord-8f0cbb542057485eb3d8e1800fcccb74
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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