Methanol → 2-(2,6-Difluorophenyl)-5-(4-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)oxazole-4-carboxamide

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 8082Piperidine

HCID 595875592-(2,6-Difluorophenyl)-5-(4-(oxiran-2-ylmethoxy)phenyl)oxazole-4-carboxamide

생성물 1

HCID 595874572-(2,6-Difluorophenyl)-5-(4-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)oxazole-4-carboxamide

출처 및 근거

ORD 기록: ord-751a30ef89b345bc913ade60102ee171
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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