Bromide ion → 3,5-Dimethylthioanisole

HRID 1120905Notes

Reaction equation

HRID 1120905 reaction equation
[Br-:19].[C:10](=[O:11])([O-:12])[O-:13].[CH3:1][c:2]1[cH:3][c:4]([SH:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:20][CH2:21][CH2:22][CH2:23][N+:24]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][S:38]([CH3:39])=[O:40].[I:16][CH3:17].[K+:14].[K+:15].[OH2:18]>>[CH3:1][c:2]1[cH:3][c:4]([S:9][CH3:10])[cH:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 6328Methyl iodideHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 1175483,5-Dimethylbenzenethiol

Product 1

HCID 27586623,5-Dimethylthioanisole

Sources & evidence

ORD record
ord-30cb524ac0e04561af5e74a578256056
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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