Potassium Cation → 1-(4-(4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl)piperidin-4-ol
Reaction equation
[CH3:46][OH:47].[K+:45].[OH-:44].[nH:1]1[n:2][cH:3][c:4]2[cH:5][cH:6][c:7]([NH:10][c:11]3[c:12]4[c:13]([n:14][c:15]([NH:17][c:18]5[cH:19][cH:20][c:21]([N:24]6[CH2:25][CH2:26][CH:27]([OH:30])[CH2:28][CH2:29]6)[cH:22][cH:23]5)[n:16]3)[n:31]([S:34]([c:35]3[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]3)(=[O:42])=[O:43])[cH:32][cH:33]4)[cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[cH:5][cH:6][c:7]([NH:10][c:11]3[c:12]4[c:13]([n:14][c:15]([NH:17][c:18]5[cH:19][cH:20][c:21]([N:24]6[CH2:25][CH2:26][CH:27]([OH:30])[CH2:28][CH2:29]6)[cH:22][cH:23]5)[n:16]3)[nH:31][cH:32][cH:33]4)[cH:8][c:9]12Participants
5
Sources & evidence
- ORD record
- ord-efc3f4026d8246cb9fc3d13a9e350e9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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