Bicarbonate Ion → N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-ylamino)pyridin-2-yl)acetamide
Reaction equation
[C:76](=[O:77])([OH:78])[O-:79].[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]([NH:40][C:41]([CH3:42])=[O:43])[n:38][cH:39]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:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69].[Na+:70].[Na+:71].[Na+:80].[O-:72][C:73](=[O:74])[O-:75].[OH:55][S:56]([C:57]([F:58])([F:59])[F:60])(=[O:61])=[O:62]>>[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]([NH:40][C:41]([CH3:42])=[O:43])[n:38][cH:39]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
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-b145bb219fb2406681d7ecc3dd3b5a8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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