2,2-Bis(3-chlorophenyl)ethanamine → [3,4-Diacetyloxy-5-[6-[2,2-bis(3-chlorophenyl)ethylamino]-2-cyanopurin-9-yl]oxolan-2-yl]methyl acetate
반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([Cl:23])[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[Cl:31][c:32]1[cH:33][c:34]([CH:38]([CH2:39][NH2:40])[c:41]2[cH:42][c:43]([Cl:47])[cH:44][cH:45][cH:46]2)[cH:35][cH:36][cH:37]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([NH:40][CH2:39][CH:38]([c:34]4[cH:33][c:32]([Cl:31])[cH:37][cH:36][cH:35]4)[c:41]4[cH:42][c:43]([Cl:47])[cH:44][cH:45][cH:46]4)[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13]참가 물질
3
출처 및 근거
- ORD 기록
- ord-a66631b23097490a99be4cf665bc8aa4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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