Ethanol → 5-Chloro-2-phenyl-isonicotinonitrile
Reaction equation
[CH2:26]([CH2:27][O:28][CH3:29])[O:30][CH3:31].[CH3:32][CH2:33][OH:34].[Cl:10][c:11]1[cH:12][c:13]([C:14]#[N:15])[c:16]([Cl:19])[cH:17][n:18]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[c:4]1(-[c:11]2[cH:12][c:13]([C:14]#[N:15])[c:16]([Cl:19])[cH:17][n:18]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-f1827c8a3c4d44cdb9ff1cf2e7def01e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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