Sodium ion → N-{3-[7-(3-tert-butyl-ureido)-2-methylsulfanyl-pyrido[2,3-d]pyrimidin-6-yl]-2,4-dichloro-phenyl}-3-trifluoromethyl-benzamide
Reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[N:41]=[C:42]=[O:43].[H-:36].[NH2:1][c:2]1[c:3](-[c:14]2[c:15]([Cl:34])[c:16]([NH:21][C:22]([c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)=[O:33])[cH:17][cH:18][c:19]2[Cl:20])[cH:4][c:5]2[c:6]([n:7][c:8]([S:11][CH3:12])[n:9][cH:10]2)[n:13]1.[Na+:35].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[NH:1]([c:2]1[c:3](-[c:14]2[c:15]([Cl:34])[c:16]([NH:21][C:22]([c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)=[O:33])[cH:17][cH:18][c:19]2[Cl:20])[cH:4][c:5]2[c:6]([n:7][c:8]([S:11][CH3:12])[n:9][cH:10]2)[n:13]1)[C:42]([NH:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43]Participants
7
Sources & evidence
- ORD record
- ord-a1146d09a9044c53bd4198ebe6d540a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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