Methanol → N-{1-[(2-Chloro-4-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 6344Dichloromethane

HCID 59547945N-[1-({2-Chloro-4-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

생성물 1

HCID 59547950N-{1-[(2-Chloro-4-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide

출처 및 근거

ORD 기록: ord-e9dc75e07aeb499ba8a4918bbf8865cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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