2-Bromo-2-methylpropanamide → 2-(3-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-1-yl)-2-methylpropanamide

반응식

[Br:33][C:34]([C:35](=[O:36])[NH2:37])([CH3:38])[CH3:39].[NH:1]1[CH2:2][CH:3]([CH2:5][c:6]2[n:7]([CH3:32])[c:8]3[n:9][c:10](-[n:21]4[c:22]([CH2:30][CH3:31])[n:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[n:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[c:13]3[n:14]2)[CH2:4]1>>[N:1]1([C:34]([C:35](=[O:36])[NH2:37])([CH3:38])[CH3:39])[CH2:2][CH:3]([CH2:5][c:6]2[n:7]([CH3:32])[c:8]3[n:9][c:10](-[n:21]4[c:22]([CH2:30][CH3:31])[n:23][c:24]5[c:25]4[cH:26][cH:27][cH:28][cH:29]5)[n:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[c:13]3[n:14]2)[CH2:4]1

참가 물질

반응물 2

HCID 1012352-Bromo-2-methylpropanamide

HCID 596052818-Azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

생성물 1

HCID 596054182-(3-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-1-yl)-2-methylpropanamide

출처 및 근거

ORD 기록: ord-ddc94742eb884e348ce91ea1829a65e2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

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