Potassium Cation → 2,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran-3-one

HRID 1241084

Reaction equation

HRID 1241084 reaction equation
[CH3:1][C:2]1([CH3:14])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2[N+:11](=[O:12])[O-:13])[CH2:6]1.[CH3:27][C:28]#[N:29].[Cu+2:41].[K+:25].[K+:26].[OH2:30].[OH2:31].[OH2:32].[OH2:33].[OH2:34].[OH2:35].[S:15](=[O:16])([O:17][O:18][S:19]([O-:20])(=[O:21])=[O:22])([O-:23])=[O:24].[S:36]([O-:37])([O-:38])(=[O:39])=[O:40]>>[CH3:1][C:2]1([CH3:14])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2[N+:11](=[O:12])[O-:13])[C:6]1=[O:16]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962Water6×HCID 1117Sulfate IonHCID 6342AcetonitrileHCID 27099Cupric cationHCID 834162,3-Dihydro-2,2-dimethyl-7-nitrobenzofuranHCID 107879Peroxydisulfate

Product 1

HCID 224047252,3-Dihydro-2,2-dimethyl-7-nitrobenzofuran-3-one

Sources & evidence

ORD record
ord-b71310edd3214233a82b6116641177f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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