Toluene → 6-(Pyrimidin-4-yloxy)-benzo[d]isoxazole-3-carboxylic acid (4-fluoro-3-trifluoromethyl-phenyl)-amide
Reaction equation
[CH2:13]([O:15][C:16](=[O:14])[c:18]1[n:19][o:20][c:21]2[c:22]1[cH:23][cH:24][c:25]([O:27][c:28]1[n:29][cH:30][n:31][cH:32][cH:33]1)[cH:26]2)[CH3:17].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[F:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([NH2:6])[cH:7][cH:8]1>>[F:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[cH:4][c:5]([NH:6][C:16](=[O:15])[c:18]2[n:19][o:20][c:21]3[c:22]2[cH:23][cH:24][c:25]([O:27][c:28]2[n:29][cH:30][n:31][cH:32][cH:33]2)[cH:26]3)[cH:7][cH:8]1Participants
5
Sources & evidence
- ORD record
- ord-1644a69a9e0644419f85951204029241
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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