3-(Trifluoromethyl)benzoic acid → HCID 178508540, compound
Reaction equation
[F:24][C:25]([c:26]1[cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33][cH:34]1)([F:35])[F:36].[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]([CH2:15][NH2:16])[CH:11]3[CH2:12][CH:13]3[CH2:14]2)[n:6]1>>[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]([CH2:15][NH:16][C:29]([c:28]3[cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:34][cH:33][cH:32]3)=[O:30])[CH:11]3[CH2:12][CH:13]3[CH2:14]2)[n:6]1Participants
3
Sources & evidence
- ORD record
- ord-af3138ec57e54b5f83834e7de81c347e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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