Bicarbonate Ion → 1-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)pyridin-2-ylamino)pyridin-2-yl)-3-phenylurea
Reaction equation
[C:58](=[O:59])([OH:60])[O-:61].[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:22][c:23]4[cH:24][cH:25][c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[n:27][cH:28]4)[n:18][cH:19][cH:20][cH:21]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:39][c:40]2[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][cH:47]2)[cH:48][cH:49]1.[F:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69].[Na+:62].[OH:50][S:51]([C:52]([F:53])([F:54])[F:55])(=[O:56])=[O:57]>>[NH2:8][c:9]1[n:10][c:11](-[c:16]2[c:17]([NH:22][c:23]3[cH:24][cH:25][c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:27][cH:28]3)[n:18][cH:19][cH:20][cH:21]2)[n:12][c:13]([CH3:15])[n:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ba1cb296b0dc47e085e47e790d6d0348
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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