Water → HCID 58235131, 화합물

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[CH3:1][NH:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:11][cH:12][n:13]2[CH:14]2[CH2:15][CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]2)[n:8]1.[OH2:56].[c:33]1(-[c:34]2[n:35][cH:36][n:37]([CH:38]3[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]3)[c:44]2-[c:45]2[cH:46][cH:47][n:48][cH:49][n:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][NH:2][c:3]1[n:4][cH:5][cH:6][c:7](-[c:9]2[c:10](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:11][cH:12][n:13]2[CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[n:8]1

참가 물질

반응물 3

HCID 962Water

HCID 57461728HCID 57461728, 화합물

HCID 58235109tert-Butyl 4-{5-[2-(methylamino)pyrimidin-4-yl]-4-phenyl-1H-imidazol-1-yl}piperidine-1-carboxylate

생성물 1

HCID 58235131HCID 58235131, 화합물

출처 및 근거

ORD 기록: ord-4bb339ab2f584fcc9121de8019d86dbb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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