Acetate → 2,4,6-Trimethylbenzoic acid

HRID 2340071Notes

Reaction equation

HRID 2340071 reaction equation
[C:28]([O-:29])(=[O:30])[CH3:31].[C:33]([O-:34])(=[O:35])[CH3:36].[CH2:19]([Cl:20])[Cl:21].[CH3:24][C:25](=[O:26])[OH:27].[Cl:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[Co+2:32].[K+:23].[OH-:22].[OH2:37].[c:1]1([CH3:11])[c:2]([CH:9]=[O:10])[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1>>[c:1]1([CH3:11])[c:2]([C:9](=[O:10])[OH:22])[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 176Acetic AcidHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 7964ChlorobenzeneHCID 102542,4,6-TrimethylbenzaldehydeHCID 104729Cobalt(2+)

Product 1

HCID 101942,4,6-Trimethylbenzoic acid

Sources & evidence

ORD record
ord-e2c3a546cc8c476fac6802b4c186a4d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…