Butyric Acid → Ethyl 4-[(3-methoxyphenyl)sulfanyl]-3-oxobutanoate

HRID 685936Notes

Reaction equation

HRID 685936 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH2:22]([CH3:23])[O:24][C:25]([CH2:26][C:27]([CH2:28][Cl:29])=[O:30])=[O:31].[CH3:16][CH2:17][CH2:18][C:19](=[O:20])[OH:21].[CH3:1][O:2][c:3]1[cH:4][c:5]([SH:9])[cH:6][cH:7][cH:8]1.[CH3:32][C:33]#[N:34].[K+:14].[K+:15]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([S:9][CH2:28][C:27]([CH2:26][C:25]([O:24][CH2:22][CH3:23])=[O:31])=[O:30])[cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 264Butyric AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 69484Ethyl 4-chloroacetoacetateHCID 849893-Methoxybenzenethiol

Product 1

HCID 21816283Ethyl 4-[(3-methoxyphenyl)sulfanyl]-3-oxobutanoate

Sources & evidence

ORD record
ord-9e0cbb1351624e8684c53a09acc3f83a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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