Methanol → N-({1-[4-(6-Methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 59541823N-({1-[4-(6-Methoxy-pyridin-3-yl)-cyclohex-3-enyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

생성물 1

HCID 46927117N-({1-[4-(6-Methoxy-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-cba176dfe9094d109cca343977677342
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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