Acetate → Styrene Oxide

HRID 1552283Notes

Reaction equation

HRID 1552283 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([O-:40])(=[O:41])[CH3:42].[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:21][N:22]([CH3:23])[CH:25]=[O:24].[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[Mn+2:38].[Na+:30].[OH2:33].[OH:31][OH:32]>>[CH2:1]1[CH:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[O:24]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 7501StyreneHCID 8182DodecaneHCID 27854Manganese(2+)

Product 1

HCID 7276Styrene Oxide

Sources & evidence

ORD record
ord-6a8cb750043e455491670f6c88c68e62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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