Acetic Acid → 6-[4-(4-Bromo-3-methyl-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

HRID 307724Notes

Reaction equation

HRID 307724 reaction equation
[Br:1][c:2]1[c:3]([CH3:27])[cH:4][c:5]([S:8][CH2:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:26]2)[C:19]([CH3:24])([CH3:25])[O:20][C:21](=[O:23])[NH:22]3)[cH:6][cH:7]1.[CH3:31][C:32](=[O:33])[OH:34].[OH2:30].[OH:28][OH:29]>>[Br:1][c:2]1[c:3]([CH3:27])[cH:4][c:5]([S:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([cH:26]2)[C:19]([CH3:24])([CH3:25])[O:20][C:21](=[O:23])[NH:22]3)=[O:28])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 13260528HCID 13260528, compound

Product 1

HCID 132605556-[4-(4-Bromo-3-methyl-phenylsulfinyl)-butoxy]-4,4-dimethyl-4H-3,1-benzoxazin-2-one

Sources & evidence

ORD record
ord-1d80cd7c63bc41ec94b40fe30578d88c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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