Isopropanol → 4-(3',4'-Dichloro-4-biphenylyl)-butyric acid

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 7965Cyclohexylamine

HCID 183641344-(3',4'-Dichloro-4-biphenylyl)-4-oxo-butyric acid

생성물 1

HCID 214379354-(3',4'-Dichloro-4-biphenylyl)-butyric acid

출처 및 근거

ORD 기록: ord-8bf23a81b349484c8d6b035c8e62224f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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