4-Aminotetrahydropyran → 8-Methoxy-9-[5-(oxan-4-ylamino)pentyl]-2-pentan-2-yloxypurin-6-amine
반응식
[CH3:1][CH:2]([O:3][c:4]1[n:5][c:6]2[c:7]([n:8][c:9]([O:10][CH3:11])[n:12]2[CH2:13][CH2:14][CH2:15][CH2:16][NH:20][CH:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:17]([NH2:18])[n:19]1)[CH2:27][CH2:28][CH3:29].[Cl:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][n:36]1[c:37]2[n:38][c:39]([O:48][CH:49]([CH2:50][CH2:51][CH3:52])[CH3:53])[n:40][c:41]([NH2:47])[c:42]2[n:43][c:44]1[O:45][CH3:46].[O:54]1[CH2:55][CH2:56][CH:57]([NH2:58])[CH2:59][CH2:60]1>>[NH:20]([CH:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][n:36]1[c:37]2[n:38][c:39]([O:48][CH:49]([CH2:50][CH2:51][CH3:52])[CH3:53])[n:40][c:41]([NH2:47])[c:42]2[n:43][c:44]1[O:45][CH3:46]참가 물질
4
출처 및 근거
- ORD 기록
- ord-132ec7a5b04a4e6688b17cb979e8fe7c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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