Bicarbonate Ion → 2-[Chloro(cyclohexyl)methyl]-3,5-dimethyl-1-benzofuran

Reaction equation

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

Participants

Reactant 6

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 1049Pyridine

HCID 1140Toluene

HCID 24386Thionyl Chloride

HCID 66777213Cyclohexyl(3,5-dimethyl-1-benzofuran-2-yl)methanol

Product 1

HCID 667790612-[Chloro(cyclohexyl)methyl]-3,5-dimethyl-1-benzofuran

Sources & evidence

ORD record: ord-e471c79692f04784a61b30dadf36ba8c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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