Chloride → 6-(4-Hexylphenyl)-6-oxohexanoic acid

HRID 146977

Reaction equation

HRID 146977 reaction equation
[Al+3:30].[CH2:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])=[O:11].[CH3:35][CH2:36][OH:37].[Cl-:12].[Cl-:29].[Cl-:31].[Cl-:32].[Na+:34].[OH-:33].[S:13]([Cl:14])([Cl:15])=[O:16]>>[C:3]([CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])(=[O:11])[c:26]1[cH:25][cH:24][c:23]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:28][cH:27]1

Participants

9

Reactant 8

HCID 312Chloride4×HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 12328monoMethyl adipateHCID 14109HexylbenzeneHCID 24386Thionyl ChlorideHCID 104727Aluminum Cation

Product 1

HCID 152955616-(4-Hexylphenyl)-6-oxohexanoic acid

Sources & evidence

ORD record
ord-2503d604eb994bb3bfd1516831523096
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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