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-(pyridin-2-yl)-pyrrolidine

반응식

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

참가 물질

반응물 2

HCID 15228076HCID 15228076, 화합물

HCID 184644641-(3,4,5-Trimethoxybenzoyl)-3-(pyrid-2-yl)-3-(2-oxoethyl)pyrrolidine

생성물 1

HCID 183332901-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(2-ethoxy-ethyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-(pyridin-2-yl)-pyrrolidine

출처 및 근거

ORD 기록: ord-9c24f3d6c16b4279add9bb456101d27b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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