Acetone → 4-((5-Cyano-2-pyridinyl)oxy)benzoic acid
Reaction equation
[CH3:28][C:29]([CH3:30])=[O:31].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[n:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[cH:16][cH:17]1.[Cl+:23]([O-:24])[O-:25].[NH2:18][S:19]([OH:20])(=[O:21])=[O:22].[Na+:26].[OH2:27].[OH2:32]>>[C:1](=[O:2])([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[n:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]2)[cH:16][cH:17]1)[OH:20]Participants
7
Sources & evidence
- ORD record
- ord-fd9af2ac6cdb4de8af7e0694b2a678f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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