Chloride → 4-(3,4-Dimethoxyphenyl)-4-oxobutanoic acid

HRID 161804

Reaction equation

HRID 161804 reaction equation
[Al+3:19].[CH2:22]([O:23][CH2:24][CH3:25])[CH3:26].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[Cl-:18].[Cl-:20].[Cl-:21].[O:11]=[C:12]1[CH2:13][CH2:14][C:15](=[O:16])[O:17]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:15]([CH2:14][CH2:13][C:12](=[O:11])[OH:17])=[O:16])[cH:6][cH:7][c:8]1[O:9][CH3:10]

Participants

8

Reactant 7

HCID 312Chloride3×HCID 3283Diethyl EtherHCID 7043VeratroleHCID 7922Succinic anhydrideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 104727Aluminum Cation

Product 1

HCID 2193904-(3,4-Dimethoxyphenyl)-4-oxobutanoic acid

Sources & evidence

ORD record
ord-738f292f8b01485a99057c4fe9adc6b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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