Acetic Acid → 5-(4-Chloro-2-fluoro-5-hydroxyanilino)-5-oxo-3-(trifluoromethyl)pentanoic acid
Reaction equation
[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:12][C:13](=[O:14])[OH:15].[Cl:1][c:2]1[cH:3][c:4]([F:10])[c:5]([NH2:6])[cH:7][c:8]1[OH:9].[F:16][C:17]([CH:18]1[CH2:19][C:20](=[O:21])[O:22][C:23](=[O:25])[CH2:24]1)([F:26])[F:27].[OH2:11]>>[Cl:1][c:2]1[cH:3][c:4]([F:10])[c:5]([NH:6][C:23]([CH2:24][CH:18]([C:17]([F:16])([F:26])[F:27])[CH2:19][C:20](=[O:21])[OH:22])=[O:25])[cH:7][c:8]1[OH:9]Participants
6
Sources & evidence
- ORD record
- ord-356f905a7eed428c8a2583ace4af113a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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