Hydrogen Peroxide → 6-Chloro-1-oxo-1lambda~5~-pyridine-3-carbonitrile

HRID 690510Notes

Reaction equation

HRID 690510 reaction equation
[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1.[F:16][C:17]([F:18])([F:19])[C:20]([O:21][C:22](=[O:23])[C:24]([F:25])([F:26])[F:27])=[O:28].[NH2:12][C:13](=[O:14])[NH2:15].[Na+:34].[Na+:35].[OH:10][OH:11].[S:29]([O-:30])([O-:31])(=[O:32])=[S:33]>>[Cl:1][c:2]1[n+:3]([O-:14])[cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 1176UreaHCID 6342AcetonitrileHCID 9845Trifluoroacetic anhydrideHCID 51520946-Chloro-3-pyridinecarbonitrile

Product 1

HCID 220285946-Chloro-1-oxo-1lambda~5~-pyridine-3-carbonitrile

Sources & evidence

ORD record
ord-d3aab94cb7784aeba78037c5b2365d79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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