Chloride → Ethyl 5-acetyl-4-hydroxy-3-methylbenzofuran-2-carboxylate

Reaction equation

[Al+3:18].[CH3:21][C:22]([Cl:23])=[O:24].[Cl-:17].[Cl-:19].[Cl-:20].[Cl:26][CH:27]([Cl:28])[CH3:29].[OH2:25].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[c:8]([CH3:16])[c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:10]2>>[OH:1][c:2]1[c:3]([C:22]([CH3:21])=[O:24])[cH:4][cH:5][c:6]2[c:7]1[c:8]([CH3:16])[c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:10]2

Participants

Reactant 6

HCID 312Chloride3×

HCID 962Water

HCID 63651,1-Dichloroethane

HCID 6367Acetyl chloride

HCID 104727Aluminum Cation

HCID 748649Ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

Product 1

HCID 20205101Ethyl 5-acetyl-4-hydroxy-3-methylbenzofuran-2-carboxylate

Sources & evidence

ORD record: ord-0a9c89a99cb142de9a13b3feb4f680e3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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