Ethanol → Ethyl 4-oxoheptanoate

HRID 1553317Notes

Reaction equation

HRID 1553317 reaction equation
[B:18]([OH:19])([OH:20])[OH:21].[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[CH:6]([C:7]([O:8][CH2:9][CH3:10])=[O:11])[CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17].[CH3:22][CH2:23][OH:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[CH2:6][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17]

Participants

5

Reactant 4

HCID 702EthanolHCID 7628Boric AcidHCID 8058HexaneHCID 170467Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester

Product 1

HCID 12271529Ethyl 4-oxoheptanoate

Sources & evidence

ORD record
ord-f6fe10badc0f46aeb1a6a085fa186f57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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