Acetate → 4-Methylene-3-oxabicyclo[3.2.1]octan-2-one

HRID 1217435Notes

Reaction equation

HRID 1217435 reaction equation
[C:13]([O-:14])(=[O:15])[CH3:16].[C:18](=[O:19])=[O:20].[C:25]([O:26][OH:27])(=[O:28])[CH3:29].[CH2:1]=[C:2]1[C:3](=[O:9])[CH:4]2[CH2:5][CH2:6][CH:7]1[CH2:8]2.[CH3:21][C:22](=[O:23])[CH3:24].[CH3:30][C:31](=[O:32])[OH:33].[Cl:40][CH2:41][Cl:42].[Na+:17].[Na+:38].[Na+:39].[OH2:10].[OH2:11].[OH2:12].[OH2:43].[S:34]([O-:35])([O-:36])=[O:37]>>[CH2:1]=[C:2]1[CH:7]2[CH2:6][CH2:5][CH:4]([C:3](=[O:9])[O:15]1)[CH2:8]2

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 180AcetoneHCID 280Carbon DioxideHCID 923Sodium ion3×HCID 962Water4×HCID 1099SulfiteHCID 6344DichloromethaneHCID 6585Peracetic AcidHCID 968753-Methylidenebicyclo[2.2.1]heptan-2-one

Product 1

HCID 129939774-Methylene-3-oxabicyclo[3.2.1]octan-2-one

Sources & evidence

ORD record
ord-83a9f25eaf954c48b7815b8e3a6c6921
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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