Acetone → 3,4-Dichloro-1,5-dimethyl-8-oxa-bicyclo[3.2.1]octa-3,6-dien-2-one

HRID 181661Notes

Reaction equation

HRID 181661 reaction equation
[Ag+:45].[C:15]([O:16][CH2:18][CH3:19])(=[O:17])[CH3:20].[C:27](=[O:28])([O-:29])[OH:30].[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[CH3:37][C:38]([CH3:39])=[O:40].[Cl:1][C:2]1=[C:8]([Cl:9])[C:7]([Cl:10])([Cl:11])[C:6]2([CH3:13])[CH:5]=[CH:4][C:3]1([CH3:14])[O:12]2.[N+:41]([O-:42])([O-:43])=[O:44].[Na+:31].[OH2:36].[OH:32][N+:33](=[O:34])[O-:35]>>[Cl:1][C:2]1=[C:8]([Cl:9])[C:7](=[O:17])[C:6]2([CH3:13])[CH:5]=[CH:4][C:3]1([CH3:14])[O:12]2

Participants

11

Reactant 10

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 943NitrateHCID 944Nitric AcidHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 104755Silver cationHCID 586095242,3,4,4-Tetrachloro-1,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-diene

Product 1

HCID 586095253,4-Dichloro-1,5-dimethyl-8-oxa-bicyclo[3.2.1]octa-3,6-dien-2-one

Sources & evidence

ORD record
ord-d7066899ab404bfcb748575b48225a88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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