5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid → HCID 178466856, compound
Reaction equation
[CH3:11][S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([O:24][CH:25]([C:26]([F:27])([F:28])[F:29])[CH3:30])[c:19]([C:20](=[O:21])[OH:22])[cH:23]1.[I:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][NH:6][CH2:5]2>>[I:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][N:6]([C:20]([c:19]1[c:18]([O:24][CH:25]([C:26]([F:27])([F:28])[F:29])[CH3:30])[cH:17][cH:16][c:15]([S:12]([CH3:11])(=[O:13])=[O:14])[cH:23]1)=[O:21])[CH2:5]2Participants
3
Sources & evidence
- ORD record
- ord-f4661341bfff4b649afae322531b6b9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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