Bicarbonate Ion → N-(5-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](methyl)amino}-2-fluorophenyl)-3-(1,1-dimethylprop-2-yn-1-yl)benzamide
Reaction equation
[C:62](=[O:63])([O-:64])[OH:65].[CH3:24][C:25]([C:26]#[CH:27])([CH3:28])[c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1.[NH2:1][c:2]1[cH:3][c:4]([N:9]([c:10]2[n:11][cH:12][c:13]3[c:14]([n:15]2)[s:16][c:17]([NH:19][C:20]([CH3:21])=[O:22])[n:18]3)[CH3:23])[cH:5][cH:6][c:7]1[F:8].[Na+:66].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([c:2]1[cH:3][c:4]([N:9]([c:10]2[n:11][cH:12][c:13]3[c:14]([n:15]2)[s:16][c:17]([NH:19][C:20]([CH3:21])=[O:22])[n:18]3)[CH3:23])[cH:5][cH:6][c:7]1[F:8])[C:32]([c:31]1[cH:30][c:29]([C:25]([CH3:24])([C:26]#[CH:27])[CH3:28])[cH:37][cH:36][cH:35]1)=[O:33]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-07784485c3004bc8859a2d0e1ee08030
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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