Bicarbonate Ion → 6-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine-3-carbonitrile
Reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[F:1][C:2]([c:3]1[c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([c:12]3[cH:13][cH:14][c:15]([C:18](=[O:19])[NH2:20])[n:16][n:17]3)[CH2:10][CH2:11]2)[cH:21][cH:22][cH:23][cH:24]1)([F:25])[F:26].[F:33][C:34]([F:35])([F:36])[C:37]([O:38][C:39](=[O:40])[C:41]([F:42])([F:43])[F:44])=[O:45].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[F:1][C:2]([c:3]1[c:4]([O:5][CH:6]2[CH2:7][CH2:8][N:9]([c:12]3[cH:13][cH:14][c:15]([C:18]#[N:20])[n:16][n:17]3)[CH2:10][CH2:11]2)[cH:21][cH:22][cH:23][cH:24]1)([F:25])[F:26]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c26cbcc190654a668c61e36e35e7f656
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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