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

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[o:7][c:8]2[c:9]([c:10]1[CH3:11])[c:12]([OH:16])[cH:13][cH:14][cH:15]2.[CH3:17][C:18]([Cl:19])=[O:20].[Cl-:21].[Cl-:22].[Cl-:23].[Cl-:24].[Cl:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Ti+4:25]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[o:7][c:8]2[c:9]([c:10]1[CH3:11])[c:12]([OH:16])[c:13]([C:18]([CH3:17])=[O:20])[cH:14][cH:15]2

Participants

Reactant 5

HCID 312Chloride4×

HCID 6367Acetyl chloride

HCID 7964Chlorobenzene

HCID 114942Titanium cation (4+)

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-caee824d97ae43fa90aca92001aa67f4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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