Chloride → 2-Isobutyl-3-ketoglutarate diethyl ester

HRID 107264

Reaction equation

HRID 107264 reaction equation
[CH2:23]([CH3:24])[O:25][C:26]([CH:27]([C:28]([C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])=[O:35])=[O:36])[CH2:37][CH:38]([CH3:39])[CH3:40])=[O:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:54][S:55]([CH3:56])=[O:57].[Cl-:9].[K+:6].[K+:7].[K+:8].[Na+:10].[O:11]=[CH:12][CH:13]([CH:14]([CH:15]([CH:16]([CH2:17][OH:18])[OH:19])[OH:20])[OH:21])[OH:22].[OH:48][CH2:49][CH:50]([CH2:51][OH:52])[OH:53].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[CH2:23]([CH3:24])[O:25][C:26]([CH:27]([C:28]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])=[O:36])[CH2:37][CH:38]([CH3:39])[CH3:40])=[O:41]

Participants

10

Reactant 9

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 753GlycerolHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 24749GlyTouCan:G09597LJHCID 220229102-Isobutyl-3-ketoketoglutarate diethyl ester

Product 1

HCID 99926592-Isobutyl-3-ketoglutarate diethyl ester

Sources & evidence

ORD record
ord-c729b51728bd410d90fc552edaf16c0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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