N-(azetidin-3-ylcarbamoylmethyl)-3-trifluoromethyl-benzamide → N-({1-[4-(5-Methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 59361594N-(azetidin-3-ylcarbamoylmethyl)-3-trifluoromethyl-benzamide

HCID 595418313-methyl-5-(4-oxo-cyclohexyl)-1H-pyridin-2-one

생성물 1

HCID 46946261N-({1-[4-(5-Methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-38a99d537ad645f78cff9b1e2328281e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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