4-Fluoro-2-(trifluoromethyl)aniline → HCID 57754962, compound
Reaction equation
[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([NH:13][c:14]2[cH:15][c:16]([CH:34]([C:35](=[O:36])[OH:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[cH:17][c:18](-[c:20]3[cH:21][c:22]([C:30]([F:31])([F:32])[F:33])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[cH:19]2)[cH:8][c:9]([C:10]([F:11])([F:12])[F:42])[cH:43]1.[F:44][c:45]1[cH:46][c:47]([C:52]([F:53])([F:54])[F:55])[c:48]([NH2:49])[cH:50][cH:51]1>>[NH:13]([c:14]1[cH:15][c:16]([CH:34]([C:35](=[O:36])[OH:37])[CH2:38][CH:39]([CH3:40])[CH3:41])[cH:17][c:18](-[c:20]2[cH:21][c:22]([C:30]([F:31])([F:32])[F:33])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:19]1)[c:48]1[c:47]([C:52]([F:53])([F:54])[F:55])[cH:46][c:45]([F:44])[cH:51][cH:50]1Participants
3
Sources & evidence
- ORD record
- ord-44f804bcf3e04096a33ee467ca07ec3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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