Bromide ion → 3,4-Dimethylstyrene oxide

HRID 1138344Notes

Reaction equation

HRID 1138344 reaction equation
[Br-:27].[CH3:13][c:14]1[cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20][c:21]1[CH3:22].[CH3:1][O:2][S:3]([O-:4])(=[O:5])=[O:6].[CH3:28][CH2:29][CH2:30][CH2:31][N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:7][S+:8]([CH3:9])[CH3:10].[Cl:23][CH2:24][Cl:25].[Na+:12].[OH-:11].[OH2:26]>>[CH2:1]1[O:2][CH:17]1[c:16]1[cH:15][c:14]([CH3:13])[c:21]([CH3:22])[cH:20][cH:19]1

Participants

11

Reactant 10

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1147TrimethylsulfoniumHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 222783,4-DimethylbenzaldehydeHCID 4694097Methyl sulfate(1-)

Product 1

HCID 1596313,4-Dimethylstyrene oxide

Sources & evidence

ORD record
ord-3b16a3c60fa3453a84fb307fcffda86e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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