Bicarbonate Ion → N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(1-cyano-1-methylethyl)benzamide
Reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:33][C:34]([Cl:35])=[O:36].[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([NH:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[n:7][cH:8][c:9]2[n:10]1.[Na+:41].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([NH:11][c:12]3[cH:13][c:14]([NH:19][C:20]([c:21]4[cH:22][c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]4)=[O:32])[cH:15][cH:16][c:17]3[CH3:18])[n:7][cH:8][c:9]2[n:10]1)[C:34]([CH3:33])=[O:36]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-8b29a15c72774fe785df2c45267216c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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