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[1,4'-Bipiperidin]-3-ol → [2-(2-tert-Butyl-4-ethoxy-pyrimidin-5-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-(3-hydroxy-[1,4']bipiperidinyl-1'-yl)-methanone

HRID 1201771
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HRID 1201771 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:14]2=[N:18][C:17]([CH3:19])([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[C:16]([CH3:27])([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[N:15]2[C:35](=[O:36])[Cl:37])[c:9]([O:11][CH2:12][CH3:13])[n:10]1.[OH:38][CH:39]1[CH2:40][N:41]([CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:42][CH2:43][CH2:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:14]2=[N:18][C:17]([CH3:19])([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[C:16]([CH3:27])([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[N:15]2[C:35](=[O:36])[N:48]2[CH2:47][CH2:46][CH:45]([N:41]3[CH2:40][CH:39]([OH:38])[CH2:44][CH2:43][CH2:42]3)[CH2:50][CH2:49]2)[c:9]([O:11][CH2:12][CH3:13])[n:10]1
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참가 물질

3

반응물 2

HCID 21091574[1,4'-Bipiperidin]-3-olHCID 76588520rac-(4S*,5R*)-2-(2-tert-butyl-4-ethoxy-pyrimidin-5-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

생성물 1

HCID 25262576[2-(2-tert-Butyl-4-ethoxy-pyrimidin-5-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-(3-hydroxy-[1,4']bipiperidinyl-1'-yl)-methanone

출처 및 근거

ORD 기록
ord-7b3820f0b1864db88dd09e01c9a2e786
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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