Chloroform → Haloperidol

반응식

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

참가 물질

반응물 2

HCID 6212Chloroform

HCID 1192654-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol

생성물 1

HCID 3559Haloperidol

출처 및 근거

ORD 기록: ord-5104235145ae44678b60ff16ce0a5f9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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