4-Methyl-3-(trifluoromethyl)benzoic acid → HCID 68444033, compound
Reaction equation
[CH3:24][c:25]1[c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]1.[NH2:1][CH2:2][CH:3]1[CH:4]2[CH2:5][CH:6]2[CH2:7][N:8]1[C:9](=[O:10])[c:11]1[n:12][c:13]([CH3:23])[s:14][c:15]1-[c:16]1[cH:17][c:18]([CH3:22])[cH:19][cH:20][cH:21]1>>[NH:1]([CH2:2][CH:3]1[CH:4]2[CH2:5][CH:6]2[CH2:7][N:8]1[C:9](=[O:10])[c:11]1[n:12][c:13]([CH3:23])[s:14][c:15]1-[c:16]1[cH:17][c:18]([CH3:22])[cH:19][cH:20][cH:21]1)[C:29]([c:28]1[cH:27][c:26]([C:34]([F:35])([F:36])[F:37])[c:25]([CH3:24])[cH:33][cH:32]1)=[O:30]Participants
3
Sources & evidence
- ORD record
- ord-8e054b6c8aa44eedb45c7f4ba395bb8e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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