Cyclohexene oxide → N-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-3-methoxy-N-(4-methylphenyl)benzamide

반응식

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

참가 물질

반응물 2

HCID 9246Cyclohexene oxide

HCID 179800593-methoxy-N-piperidin-4-yl-N-p-tolyl-benzamide

생성물 1

HCID 91149942N-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-3-methoxy-N-(4-methylphenyl)benzamide

출처 및 근거

ORD 기록: ord-e2d09fd2f6da421588be463a2dde9b49
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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