Ethanol → N,N-Diethylacetamide

HRID 2125286Notes

Reaction equation

HRID 2125286 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[OH:5])(=[O:6])[OH:7].[C:8]([CH3:9])(=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[CH3:35][CH2:36][OH:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:18](=[CH2:19])[c:20]1[cH:21][cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:34])[cH:24][cH:25]1.[H-:16].[Na+:17].[OH2:43]>>[C:1]([CH2:2][C:3](=[O:4])[OH:5])(=[O:6])[O:7][CH2:19][CH2:18][c:20]1[cH:21][cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:34])[cH:24][cH:25]1.[C:8]([CH3:9])(=[O:10])[N:11]([CH2:12][CH3:13])[CH2:14][CH3:15]

Participants

10

Reactant 8

HCID 702EthanolHCID 867Malonic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 12703N,N-DiethylacetamideHCID 166653HydrideHCID 125415361-(4-Ethenylphenyl)octan-1-one

Product 2

HCID 12703N,N-DiethylacetamideHCID 702311243-[2-(4-Octanoylphenyl)ethoxy]-3-oxopropanoic acid

Sources & evidence

ORD record
ord-84ef4993462a47afb3fd27db37b35ed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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