Methanol → 4-(3-(4-((4-Difluoromethoxyphenyl)phenylmethyl)piperazin-1-yl)-2-hydroxypropoxy)-1H-indole-2-carboxamide

반응식

[CH3:41][OH:42].[F:18][CH:19]([O:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:25][cH:26]1)[F:40].[O:1]1[CH:2]([CH2:3][O:4][c:5]2[c:6]3[cH:7][c:8]([C:14](=[O:15])[NH2:16])[nH:9][c:10]3[cH:11][cH:12][cH:13]2)[CH2:17]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[c:6]2[cH:7][c:8]([C:14](=[O:15])[NH2:16])[nH:9][c:10]2[cH:11][cH:12][cH:13]1)[CH2:17][N:31]1[CH2:30][CH2:29][N:28]([CH:27]([c:24]2[cH:23][cH:22][c:21]([O:20][CH:19]([F:18])[F:40])[cH:26][cH:25]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:33][CH2:32]1

참가 물질

반응물 3

HCID 887Methanol

HCID 41723491H-Indole-2-carboxamide, 4-(oxiranylmethoxy)-

HCID 14405370HCID 14405370, 화합물

생성물 1

HCID 144053714-(3-(4-((4-Difluoromethoxyphenyl)phenylmethyl)piperazin-1-yl)-2-hydroxypropoxy)-1H-indole-2-carboxamide

출처 및 근거

ORD 기록: ord-411ba1381ff34217b19e991bc6e81a3f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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