Bicarbonate Ion → 3-amino-6-[4-chloro-3-(5-fluoro-2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrazine-2-carboxylic acid dimethylamide
Reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:31][N:32]([C:33](=[O:34])[c:35]1[n:36][c:37]([I:42])[cH:38][n:39][c:40]1[NH2:41])[CH3:43].[CH3:49][C:50]#[N:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[B:8]([OH:9])[OH:10])[n:11]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:28])([CH3:29])[CH3:30])[cH:12][c:13]2-[c:14]1[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([F:20])[cH:19]1.[Na+:48]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1-[c:37]1[n:36][c:35]([C:33]([N:32]([CH3:31])[CH3:43])=[O:34])[c:40]([NH2:41])[n:39][cH:38]1)[n:11]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:28])([CH3:29])[CH3:30])[cH:12][c:13]2-[c:14]1[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([F:20])[cH:19]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-7da84002291243d883683201bf48007f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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