Acetic Acid → 2-Oxo-3-[1-(2-trifluoromethyl-phenyl)-cyclobutyl]-propionic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[OH:7])=[CH:8][C:9]1([c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1.[CH3:23][C:24](=[O:25])[OH:26].[OH2:27].[S:28](=[O:29])(=[O:30])([OH:31])[OH:32]>>[O:3]=[C:4]([C:5](=[O:6])[OH:7])[CH2:8][C:9]1([c:13]2[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]2)[CH2:10][CH2:11][CH2:12]1Participants
5
Sources & evidence
- ORD record
- ord-df9fe775226f48cc947fdbf3d438f8ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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