4-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidine → N-Methyl-N-(4-(4-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dimethoxyphenyl)butyl)benzamide

반응식

[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)=[O:10])[CH2:11][CH:12]([CH2:13][CH2:14][S:15]([CH3:16])(=[O:17])=[O:18])[c:19]1[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][cH:24]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][n:35]2[c:36]([C:44](=[O:45])[CH:46]3[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]3)[n:37][c:38]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[cH:52][cH:53]1>>[CH3:1][N:2]([C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)=[O:10])[CH2:11][CH:12]([CH2:13][CH2:14][N:49]1[CH2:48][CH2:47][CH:46]([C:44]([c:36]2[n:35]([CH2:34][c:33]3[cH:32][cH:31][c:30]([F:29])[cH:53][cH:52]3)[c:39]3[c:38]([n:37]2)[cH:43][cH:42][cH:41][cH:40]3)=[O:45])[CH2:51][CH2:50]1)[c:19]1[cH:20][c:21]([O:27][CH3:28])[c:22]([O:25][CH3:26])[cH:23][cH:24]1

참가 물질

반응물 2

HCID 155428834-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidine

HCID 18354489N-methyl-N-(2-(3,4-dimethoxyphenyl)-4-methanesulfonylbutyl)benzamide

생성물 1

HCID 10168612N-Methyl-N-(4-(4-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dimethoxyphenyl)butyl)benzamide

출처 및 근거

ORD 기록: ord-36160cc0a7944919b3b7c8b6b944bfc3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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