Methanol → tert-butyl 4-(2-oxo-5-phenyl-1-(piperidin-3-yl)-2,3-dihydro-1H-imidazole-4-carbonyl)piperazine-1-carboxylate

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 24999588tert-butyl 4-(1-(1-(benzyloxycarbonyl)piperidin-3-yl)-2-oxo-5-phenyl-2,3-dihydro-1H-imidazole-4-carbonyl)piperazine-1-carboxylate

생성물 1

HCID 59292653tert-butyl 4-(2-oxo-5-phenyl-1-(piperidin-3-yl)-2,3-dihydro-1H-imidazole-4-carbonyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록: ord-1b6e2b23150345ab9173648c6a6f7c95
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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