Acetic Acid → 2-Methylsulphonyl-4-phenylbutyric acid ethyl ester

HRID 91110

Reaction equation

HRID 91110 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6](=[O:7])(=[O:8])[CH3:9])=[O:10].[CH3:22][C:23](=[O:24])[OH:25].[Na+:12].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH-:11].[c:13]1([CH2:19][CH2:20][Br:21])[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([S:6](=[O:7])(=[O:8])[CH3:9])[CH2:20][CH2:19][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[O:10]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 7666Phenethyl bromideHCID 78201Ethyl methanesulfonylacetate

Product 1

HCID 540490452-Methylsulphonyl-4-phenylbutyric acid ethyl ester

Sources & evidence

ORD record
ord-d6bcaae8349a4f028bbd82d7887ca937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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