Trifluoroacetic acid → 4-(8-(3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-ylamino)-7-methylquinazolin-4-ylamino)benzonitrile
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][cH:10][c:11]3[c:12]2[n:13][cH:14][n:15][c:16]3-[c:17]2[c:18]([NH:23][c:24]3[c:25]([CH3:43])[cH:26][cH:27][c:28]4[c:29]([NH:34][c:35]5[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]5)[n:30][cH:31][n:32][c:33]34)[n:19][cH:20][cH:21][cH:22]2)[cH:44][cH:45]1.[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[nH:8]1[n:9][cH:10][c:11]2[c:12]1[n:13][cH:14][n:15][c:16]2-[c:17]1[c:18]([NH:23][c:24]2[c:25]([CH3:43])[cH:26][cH:27][c:28]3[c:29]([NH:34][c:35]4[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]4)[n:30][cH:31][n:32][c:33]23)[n:19][cH:20][cH:21][cH:22]1Participants
3
Sources & evidence
- ORD record
- ord-989f0597730b4e8b88b0a41f3d0cbd2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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