Acetic Acid → 1-(2,4-Difluorophenyl)-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Reaction equation

[CH3:30][C:31](=[O:32])[OH:33].[ClH:29].[F:1][c:2]1[c:3](-[n:9]2[cH:10][c:11]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:12](=[O:23])[c:13]3[c:14]([CH3:22])[c:15]([F:21])[c:16]([F:20])[c:17]([F:19])[c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[cH:10][c:11]([C:24](=[O:25])[OH:26])[c:12](=[O:23])[c:13]3[c:14]([CH3:22])[c:15]([F:21])[c:16]([F:20])[c:17]([F:19])[c:18]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

Reactant 3

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 14651271Ethyl 6,7,8-trifluoro-1-(2,4-difluorophenyl)-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylate

Product 1

HCID 146512701-(2,4-Difluorophenyl)-5-methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record: ord-5a9e1a105c5e4e14afde25992b6d4608
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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