3-(Trifluoromethyl)aniline → HCID 11496666, compound
Reaction equation
[Br:34][c:35]1[cH:36][c:37]([CH3:58])[c:38]([C:41](=[O:42])[c:43]2[c:44]([CH3:57])[cH:45][cH:46][c:47](-[n:49]3[n:50][n:51][c:52]([CH2:54][CH2:55][OH:56])[cH:53]3)[cH:48]2)[cH:39][cH:40]1.[F:1][c:2]1[cH:3][c:4]([F:5])[cH:6][cH:7][c:8]1[NH:9][c:10]1[cH:11][cH:12][c:13]([C:14]([c:15]2[cH:16][c:17](-[n:18]3[cH:19][c:20]([CH2:21][CH2:22][OH:23])[n:24][n:25]3)[cH:26][cH:27][c:28]2[CH3:29])=[O:30])[c:31]([CH3:32])[cH:33]1.[F:59][C:60]([c:61]1[cH:62][c:63]([NH2:67])[cH:64][cH:65][cH:66]1)([F:68])[F:69]>>[c:35]1([NH:67][c:63]2[cH:62][c:61]([C:60]([F:59])([F:68])[F:69])[cH:66][cH:65][cH:64]2)[cH:36][c:37]([CH3:58])[c:38]([C:41](=[O:42])[c:43]2[c:44]([CH3:57])[cH:45][cH:46][c:47](-[n:49]3[n:50][n:51][c:52]([CH2:54][CH2:55][OH:56])[cH:53]3)[cH:48]2)[cH:39][cH:40]1Participants
4
Sources & evidence
- ORD record
- ord-af24c240eb01416a9884cd5cb52ece08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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