Azepane → 2-(Butyloxy)-9-[5-(hexahydro-1H-azepin-1-yl)pentyl]-8-(methyloxy)-9H-purin-6-amine
Reaction equation
[CH2:27]([CH2:28][CH2:29][CH3:49])[O:30][c:31]1[n:32][c:33]2[c:34]([n:35][c:36]([O:37][CH3:38])[n:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][Cl:45])[c:46]([NH2:47])[n:48]1.[N:1]1([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][n:10]2[c:11]3[n:12][c:13]([O:22][CH2:23][CH2:24][CH2:25][CH3:26])[n:14][c:15]([NH2:21])[c:16]3[n:17][c:18]2[O:19][CH3:20])[CH2:2][CH2:3][CH2:4]1.[NH:50]1[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1>>[N:1]1([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][n:10]2[c:11]3[n:12][c:13]([O:22][CH2:23][CH2:24][CH2:25][CH3:26])[n:14][c:15]([NH2:21])[c:16]3[n:17][c:18]2[O:19][CH3:20])[CH2:2][CH2:3][CH2:29][CH2:28][CH2:27][CH2:4]1Participants
4
Sources & evidence
- ORD record
- ord-895e89f0db54418186ef66485f202566
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…