Hydrochloric Acid → 3-Cyano-4-fluorobenzoic acid
Reaction equation
[C:26]([OH:27])([CH3:28])([CH3:29])[CH3:30].[Cl+:12]([O-:13])[O-:14].[ClH:25].[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]=[O:11])[cH:8][cH:9]1.[Na+:15].[Na+:23].[Na+:24].[OH2:16].[OH2:17].[OH2:31].[P:18]([O-:19])([O-:20])([OH:21])=[O:22]>>[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([C:10](=[O:11])[OH:13])[cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-877483929c09466d90ebf1f8a6af05ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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