Acetone → 2-{3-Fluoro-4-[4-pyridin-4-yl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-yl]-phenoxymethyl}-quinoline
Reaction equation
[CH3:56][C:57](=[O:58])[CH3:59].[F:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[n:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:17][cH:18][c:19]1-[c:20]1[n:21][n:22]([CH3:31])[cH:23][c:24]1-[c:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1.[F:32][c:33]1[cH:34][c:35]([OH:36])[cH:37][cH:38][c:39]1-[c:40]1[c:41](-[c:42]2[cH:43][cH:44][n:45][cH:46][cH:47]2)[cH:48][n:49]([CH2:50][C:51]([F:52])([F:53])[F:54])[n:55]1>>[F:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[n:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15][cH:16]2)[cH:17][cH:18][c:19]1-[c:20]1[n:21][n:22]([CH2:31][C:51]([F:52])([F:53])[F:54])[cH:23][c:24]1-[c:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-b34615d1bf35433d8aada4bc68a1a54c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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