Acetone → Ethyl 4-(3,4-dichlorophenoxy)butanoate

HRID 1231877Notes

Reaction equation

HRID 1231877 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:18]([CH3:19])[O:20][C:21]([CH2:22][CH2:23][CH2:24][Br:25])=[O:26].[CH3:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[Cl:9][c:10]1[cH:11][c:12]([OH:17])[cH:13][cH:14][c:15]1[Cl:16].[I-:8].[K+:5].[K+:6].[Na+:28].[Na+:7].[OH-:27]>>[Cl:9][c:10]1[cH:11][c:12]([O:17][CH2:24][CH2:23][CH2:22][C:21]([O:20][CH2:18][CH3:19])=[O:26])[cH:13][cH:14][c:15]1[Cl:16]

Participants

11

Reactant 10

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 961HydroxideHCID 72583,4-DichlorophenolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 76300Ethyl 4-bromobutyrate

Product 1

HCID 21812850Ethyl 4-(3,4-dichlorophenoxy)butanoate

Sources & evidence

ORD record
ord-a0bcaadb4a5941d494f65df635e3b443
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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