2-(propan-2-yl)-1H-1,3-benzodiazole → tert-butyl 3-hydroxy-3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)piperidine-1-carboxylate
반응식
[CH:32]([CH3:33])([CH3:34])[c:35]1[nH:36][c:37]2[c:38]([n:39]1)[cH:40][cH:41][cH:42][cH:43]2.[Cl:1][c:2]1[n:3][c:4]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:5]2[n:6][c:7]([C:12]3([OH:25])[CH2:13][N:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]3)[n:8]([CH3:11])[c:9]2[n:10]1>>[c:2]1(-[n:36]2[c:35]([CH:32]([CH3:33])[CH3:34])[n:39][c:38]3[c:37]2[cH:43][cH:42][cH:41][cH:40]3)[n:3][c:4]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:5]2[n:6][c:7]([C:12]3([OH:25])[CH2:13][N:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]3)[n:8]([CH3:11])[c:9]2[n:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-8916d66375cb443298d6c4c54a306a69
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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