Dichloromethane → 8-Azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine
반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([CH2:12][c:13]2[n:14]([CH3:39])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH2:37][CH3:38])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[NH:8]1[CH2:9][CH:10]([CH2:12][c:13]2[n:14]([CH3:39])[c:15]3[n:16][c:17](-[n:28]4[c:29]([CH2:37][CH3:38])[n:30][c:31]5[c:32]4[cH:33][cH:34][cH:35][cH:36]5)[n:18][c:19]([N:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[c:20]3[n:21]2)[CH2:11]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-7e325497501b43d9bc31422e6d375c40
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI