Acetate → Styrene Oxide

HRID 2320173Notes

Reaction equation

HRID 2320173 reaction equation
[C:25](=[O:26])([OH:27])[O-:28].[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[NH2:21][C:22]([NH2:23])=[O:24].[Na+:29].[Ni+2:37].[OH2:32].[OH:30][OH:31]>>[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 934Nickel cationHCID 962WaterHCID 1176UreaHCID 7501StyreneHCID 8182Dodecane

Product 1

HCID 7276Styrene Oxide

Sources & evidence

ORD record
ord-00bd686c0c994f59bd7e09f9466105ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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