Ethanol → 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)aniline
Reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[n:3][c:4]([N:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[O:20]3)[c:5]2[c:6]([n:7]1)[n:8]([CH2:11][CH3:12])[n:9][cH:10]2.[NH2:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[Na+:35].[Na+:36]>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([NH2:21])[cH:27][cH:26]2)[n:3][c:4]([N:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[O:20]3)[c:5]2[c:6]([n:7]1)[n:8]([CH2:11][CH3:12])[n:9][cH:10]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-fefc95b6b77849eeaf8581e058eb3d01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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