Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)- → HCID 51000592, compound
Reaction equation
[CH3:12][S:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]1.[N:1]1([CH:6]2[CH:7]([NH2:11])[CH2:8][CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH:6]2[CH:7]([NH:11][C:16]([c:15]3[c:14]([S:13][CH3:12])[cH:22][c:21]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:19]3)=[O:17])[CH2:8][CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
3
Sources & evidence
- ORD record
- ord-bce648c6277f44dc8343039507070326
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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