3-(Trifluoromethyl)aniline → HCID 178425401, compound
Reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[F:31][C:32]([c:33]1[cH:34][c:35]([NH2:39])[cH:36][cH:37][cH:38]1)([F:40])[F:41].[S:27]([Cl:28])([Cl:29])=[O:30]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:39][c:35]2[cH:34][c:33]([C:32]([F:31])([F:40])[F:41])[cH:38][cH:37][cH:36]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-4d96045372f94950bf7398537c6c26a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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