Sodium ion → Methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}(2,2,2-trifluoroethyl)carbamate
Reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[Cl:34][C:35]([Cl:36])([Cl:37])[S:38]([O:39][CH2:40][C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46].[H-:32].[NH2:1][c:2]1[n:3][c:4](-[c:14]2[n:15][n:16]([CH2:24][c:25]3[c:26]([F:31])[cH:27][cH:28][cH:29][cH:30]3)[c:17]3[n:18][cH:19][c:20]([F:23])[cH:21][c:22]23)[n:5][c:6]([NH2:13])[c:7]1[NH:8][C:9]([O:10][CH3:11])=[O:12].[Na+:33].[OH2:47]>>[NH2:1][c:2]1[n:3][c:4](-[c:14]2[n:15][n:16]([CH2:24][c:25]3[c:26]([F:31])[cH:27][cH:28][cH:29][cH:30]3)[c:17]3[n:18][cH:19][c:20]([F:23])[cH:21][c:22]23)[n:5][c:6]([NH2:13])[c:7]1[N:8]([C:9]([O:10][CH3:11])=[O:12])[CH2:40][C:41]([F:42])([F:43])[F:44]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-ddf97580f76a40ce80305f40cb5d3126
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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