Ethanol → 5-(3-Fluoro-4-methoxyphenyl)pyrimidin-2-amine
Reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:32][CH2:33][OH:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[F:1][c:2]1[cH:3][c:4]([B:10]([OH:11])[OH:12])[cH:5][cH:6][c:7]1[O:8][CH3:9].[I:13][c:14]1[cH:15][n:16][c:17]([NH2:20])[n:18][cH:19]1.[N:27]#[N:28].[Na+:25].[Na+:26].[Na+:30].[OH-:29].[OH2:31]>>[F:1][c:2]1[cH:3][c:4](-[c:14]2[cH:15][n:16][c:17]([NH2:20])[n:18][cH:19]2)[cH:5][cH:6][c:7]1[O:8][CH3:9]Participants
10
Sources & evidence
- ORD record
- ord-4cb5e64635364e2ba36393aa279bbe1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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