Acetone → Ethyl 2-(4-t-Butylphenylthio)octanoate

HRID 95017

Reaction equation

HRID 95017 reaction equation
[Br:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([SH:24])[cH:22][cH:23]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][C:32](=[O:33])[CH3:34].[K+:29].[K+:30]>>[CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[S:24][c:21]1[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23][cH:22]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 754544-Tert-ButylbenzenethiolHCID 95580Ethyl 2-bromooctanoate

Product 1

HCID 14995385Ethyl 2-(4-t-Butylphenylthio)octanoate

Sources & evidence

ORD record
ord-035337a2775c4e5a84c1829503a0a784
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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