Acetic Acid → 8-Chloro-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid
Reaction equation
[CH3:22][CH:23]([OH:24])[CH3:25].[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]2[c:7](=[O:17])[c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:9][nH:10][c:11]12.[Na+:27].[OH-:26].[OH2:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]2[c:7](=[O:17])[c:8]([C:12](=[O:13])[OH:14])[cH:9][nH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-7572ec391ecf4c49bd4c8d6fccaab866
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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