HCID 15228076, 화합물 → 1-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(2-ethoxy-ethyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-(4-methoxy-phenyl)-pyrrolidine

반응식

[CH2:34]([CH3:35])[O:36][CH2:37][CH2:38][n:39]1[c:40]([C:48](=[O:49])[CH:50]2[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]2)[n:41][c:42]2[c:43]1[cH:44][cH:45][cH:46][cH:47]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][S:15]([CH3:16])(=[O:17])=[O:18])([c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[CH2:11][CH2:12]2)[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:53]3[CH2:52][CH2:51][CH:50]([C:48]([c:40]4[n:39]([CH2:38][CH2:37][O:36][CH2:34][CH3:35])[c:43]5[c:42]([n:41]4)[cH:47][cH:46][cH:45][cH:44]5)=[O:49])[CH2:55][CH2:54]3)([c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[CH2:11][CH2:12]2)[cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31]

참가 물질

반응물 2

HCID 15228076HCID 15228076, 화합물

HCID 183334661-(3,4,5-Trimethoxy-benzoyl)-3-(4-methoxy-phenyl)-3-(2-methanesulfonyl-ethyl)-pyrrolidine

생성물 1

HCID 183332641-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(2-ethoxy-ethyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-(4-methoxy-phenyl)-pyrrolidine

출처 및 근거

ORD 기록: ord-5fc7d42d8ac741aaa461dbbb09951c7b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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