Hydrogen Peroxide → 5-Cyano-2-fluorobenzoic acid

HRID 662688Notes

Reaction equation

HRID 662688 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([F:11])[c:7]([CH:8]=[O:9])[cH:10]1.[CH3:30][C:31]#[N:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Cl+:20]([O-:21])[O-:22].[Na+:12].[Na+:23].[Na+:28].[Na+:29].[OH:13][P:14](=[O:15])([O-:16])[OH:17].[OH:18][OH:19].[S:24]([O-:25])([O-:26])=[O:27]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([F:11])[c:7]([C:8](=[O:9])[OH:13])[cH:10]1

Participants

9

Reactant 8

HCID 784Hydrogen PeroxideHCID 923Sodium ion4×HCID 1003DihydrogenphosphateHCID 1099SulfiteHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 197148ChloriteHCID 109097255-Cyano-2-fluorobenzaldehyde

Product 1

HCID 27784625-Cyano-2-fluorobenzoic acid

Sources & evidence

ORD record
ord-1b2d795db0fe4791a90747aa165e1b38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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