4-(4-Fluorophenyl)-4-hydroxycyclohexan-1-one → N-({1-[4-(4-Fluoro-phenyl)-4-hydroxy-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 223953644-(4-Fluorophenyl)-4-hydroxycyclohexan-1-one

HCID 59361594N-(azetidin-3-ylcarbamoylmethyl)-3-trifluoromethyl-benzamide

생성물 1

HCID 49764700N-({1-[4-(4-Fluoro-phenyl)-4-hydroxy-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-59bab53f8c624dc4820ed006520124ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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