Methanol → N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

반응식

[CH3:37][OH:38].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1=[CH:11][CH2:12][CH:13]([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)[CH2:14][CH2:15]1)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]1[CH2:11][CH2:12][CH:13]([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)[CH2:14][CH2:15]1)[cH:9]2

참가 물질

반응물 2

HCID 887Methanol

HCID 56680600N-{[1-(4-Benzo[1,3]-dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

생성물 1

HCID 49763568N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

출처 및 근거

ORD 기록: ord-28f85c39b66b4a75be038be8f3f623bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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