4-(Trifluoromethyl)benzoic acid → HCID 178465958, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:16])[CH2:6][c:7]2[cH:8][c:9]([C:13]([CH3:14])=[O:15])[cH:10][cH:11][c:12]21.[F:17][C:18]([c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]1)([F:28])[F:29]>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:16])[C:6](=[C:23]([c:22]2[cH:21][cH:20][c:19]([C:18]([F:17])([F:28])[F:29])[cH:27][cH:26]2)[OH:24])[c:7]2[cH:8][c:9]([C:13]([CH3:14])=[O:15])[cH:10][cH:11][c:12]21Participants
3
Sources & evidence
- ORD record
- ord-a23f84ef36094827ba7ca46849f2f48b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…