Sodium ion → 3-[1-(4-Methoxy-phenyl)-7-oxo-3-trifluoromethyl-1,4,5,7-tetrahydro-pyrazolo[3,4-c]pyridin-6-yl]-propionitrile

HRID 1554953Notes

Reaction equation

HRID 1554953 reaction equation
[Br:25][CH2:26][CH2:27][C:28]#[N:29].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]3[c:13]2[C:14](=[O:18])[NH:15][CH2:16][CH2:17]3)[cH:7][cH:8]1.[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[H-:23].[Na+:24]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]3[c:13]2[C:14](=[O:18])[N:15]([CH2:26][CH2:27][C:28]#[N:29])[CH2:16][CH2:17]3)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 170203-BromopropionitrileHCID 166653HydrideHCID 218914731-(4-Methoxy-phenyl)-3-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one

Product 1

HCID 100673173-[1-(4-Methoxy-phenyl)-7-oxo-3-trifluoromethyl-1,4,5,7-tetrahydro-pyrazolo[3,4-c]pyridin-6-yl]-propionitrile

Sources & evidence

ORD record
ord-b49fc0fba80448929a67caed30c54d15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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