2-Methylthio-4,6-bis(trifluoromethyl)benzoic acid → HCID 75599214, compound
Reaction equation
[CH3:13][S:14][c:15]1[c:16]([C:17](=[O:18])[OH:19])[c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1.[CH:1]1([NH:6][CH:7]2[CH:8]([NH2:12])[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([NH:6][CH:7]2[CH:8]([NH:12][C:17]([c:16]3[c:15]([S:14][CH3:13])[cH:23][c:22]([C:24]([F:25])([F:26])[F:27])[cH:21][c:20]3[C:28]([F:29])([F:30])[F:31])=[O:18])[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Sources & evidence
- ORD record
- ord-a16e935714414c9a8783e9e98d65acbb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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