2-cyclopropyl-1H-1,3-benzodiazole → 2-(4-((2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropanamide

HRID 665965

반응식

HRID 665965 반응식
[CH:31]1([c:34]2[nH:35][c:36]3[c:37]([n:38]2)[cH:39][cH:40][cH:41][cH:42]3)[CH2:32][CH2:33]1.[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([C:20](=[O:21])[NH2:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1>>[c:2]1(-[n:35]2[c:34]([CH:31]3[CH2:32][CH2:33]3)[n:38][c:37]3[c:36]2[cH:42][cH:41][cH:40][cH:39]3)[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([C:20](=[O:21])[NH2:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1

참가 물질

3

반응물 2

HCID 10844192-cyclopropyl-1H-1,3-benzodiazoleHCID 584391892-(4-((2-Chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropanamide

생성물 1

HCID 596054872-(4-((2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropanamide

출처 및 근거

ORD 기록
ord-d081914ed1c14bad854e4f867efe9ae2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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