Bicarbonate Ion → N-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-yl)isoquinolin-7-amine
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:33][c:34]4[cH:35][cH:36][c:37]5[cH:38][cH:39][n:40][cH:41][c:42]5[cH:43]4)[n:18][cH:19][c:20]([CH2:22][N:23]4[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]4)[cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]2)[cH:53][cH:54]1.[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61].[Na+:66].[O-:62][C:63]([OH:64])=[O:65]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[c:17]([NH:33][c:34]3[cH:35][cH:36][c:37]4[cH:38][cH:39][n:40][cH:41][c:42]4[cH:43]3)[n:18][cH:19][c:20]([CH2:22][N:23]3[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]3)[cH:21]2)[n:12][c:13]([CH3:15])[n:14]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-4f48f22ab18f4700a2e22cb3462d3567
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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