Trifluoroacetic acid → 4-(6-(4-(Pyridin-4-yl)phenoxy)-7H-purin-2-ylamino)benzonitrile
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[cH:9][n:10][c:11]3[n:12][c:13]([NH:30][c:31]4[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]4)[n:14][c:15]([O:17][c:18]4[cH:19][cH:20][c:21](-[c:24]5[cH:25][cH:26][n:27][cH:28][cH:29]5)[cH:22][cH:23]4)[c:16]23)[cH:39][cH:40]1.[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[nH:8]1[cH:9][n:10][c:11]2[n:12][c:13]([NH:30][c:31]3[cH:32][cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38]3)[n:14][c:15]([O:17][c:18]3[cH:19][cH:20][c:21](-[c:24]4[cH:25][cH:26][n:27][cH:28][cH:29]4)[cH:22][cH:23]3)[c:16]12Participants
3
Sources & evidence
- ORD record
- ord-d473e6306680424fbfa95707c11191c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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