Acetone → 4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-cyclohexanone
Reaction equation
[CH3:35][C:36](=[O:37])[CH3:38].[ClH:34].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([n:11]1[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:25][cH:26]3)[c:14]3[c:15]1[n:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]2>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([n:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:25][cH:26]3)[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]1Participants
4
Sources & evidence
- ORD record
- ord-3b78483a46434ce8a989c71abfefbb38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)