Water → 4-(2-(4-Cyanophenylamino)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
Reaction equation
[Cl:1][c:2]1[n:3][c:4]([O:12][c:13]2[c:14]([CH3:22])[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]2[CH3:21])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][n:10]2[CH3:11].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:23][c:24]1[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]1.[OH2:39]>>[c:2]1([NH:23][c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[n:3][c:4]([O:12][c:13]2[c:14]([CH3:22])[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]2[CH3:21])[c:5]2[c:6]([n:7]1)[cH:8][cH:9][n:10]2[CH3:11]Participants
5
Sources & evidence
- ORD record
- ord-5077180aefc24b8ea4ab7d177fc7c837
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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