4-(Dimethylamino)pyridine → 1-(3-(6,7-Dimethoxyquinazolin-4-ylthio)phenyl)-3-(3-fluoro-4-(trifluoromethyl)phenyl)urea
Reaction equation
[CH3:16][O:17][c:18]1[cH:19][c:20]2[c:21]([S:30][c:31]3[cH:32][c:33]([NH2:34])[cH:35][cH:36][cH:37]3)[n:22][cH:23][n:24][c:25]2[cH:26][c:27]1[O:28][CH3:29].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[F:1][c:2]1[cH:3][c:4]([NH:12][C:13]([O-:14])=[O:15])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]>>[F:1][c:2]1[cH:3][c:4]([NH:12][C:13](=[O:15])[NH:34][c:33]2[cH:32][c:31]([S:30][c:21]3[c:20]4[cH:19][c:18]([O:17][CH3:16])[c:27]([O:28][CH3:29])[cH:26][c:25]4[n:24][cH:23][n:22]3)[cH:37][cH:36][cH:35]2)[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]Participants
5
Sources & evidence
- ORD record
- ord-db2910077d644a9d8260c9a3f3db110f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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