Dimethyl Sulfoxide → 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2,5-trimethylhexanoic acid
Reaction equation
[CH3:31][OH:32].[CH3:33][S:34]([CH3:35])=[O:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([CH:17]([C:18]([C:19](=[O:20])[O:21][CH3:22])([CH3:23])[CH3:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[Na+:30].[OH-:29]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([CH:17]([C:18]([C:19](=[O:20])[OH:21])([CH3:23])[CH3:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]23)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-170e1d850c074555a504b9a59b35c699
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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