Hydrogen Peroxide → 6-(4-Phenylsulfinyl-butoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one

HRID 310961Notes

Reaction equation

HRID 310961 reaction equation
[OH:26][OH:27].[c:1]1([S:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:25]2)[C:18]([CH3:23])([CH3:24])[O:19][C:20](=[O:22])[NH:21]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7]([CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([cH:25]2)[C:18]([CH3:23])([CH3:24])[O:19][C:20](=[O:22])[NH:21]3)=[O:26])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 784Hydrogen PeroxideHCID 202817146-(4-phenylmercapto-butoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Product 1

HCID 202817666-(4-Phenylsulfinyl-butoxy)-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Sources & evidence

ORD record
ord-4e69d1cb94f84ba4abda9089fba9a715
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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