Toluene → 5-Methyl-4-(4-trifluoromethylphenyl)aminothiocarbonylisoxazole
Reaction equation
[CH3:1][c:2]1[c:3]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:4][n:5][o:6]1.[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([P:26]2(=[S:29])[S:27][P:28]([c:30]3[cH:31][cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37]3)(=[S:38])[S:39]2)[cH:40][cH:41]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][c:2]1[c:3]([C:7]([NH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)=[S:29])[cH:4][n:5][o:6]1Participants
4
Sources & evidence
- ORD record
- ord-0c69138e5a1d4b85b37ffd2e584582af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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