Acetic Acid → N-[4-chloro-2-(1-ethoxyiminobutyl)phenyl]trifluoromethanesulfonamide

HRID 672487Notes

Reaction equation

HRID 672487 reaction equation
[C:25]([CH2:26][CH2:27][CH3:28])(=[O:29])[c:30]1[c:31]([NH:37][S:38](=[O:39])(=[O:40])[C:41]([F:42])([F:43])[F:44])[cH:32][cH:33][c:34]([Cl:36])[cH:35]1.[CH2:7]([CH3:8])[O:9][N:10]1[C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[C:19]1=[O:20].[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][NH2:6].[CH3:21][C:22](=[O:23])[OH:24].[CH3:45][CH2:46][OH:47]>>[CH2:7]([CH3:8])[O:9][N:10]=[C:25]([CH2:26][CH2:27][CH3:28])[c:30]1[c:31]([NH:37][S:38](=[O:39])(=[O:40])[C:41]([F:42])([F:43])[F:44])[cH:32][cH:33][c:34]([Cl:36])[cH:35]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 66053N,N-DimethylethylenediamineHCID 5959292-Ethoxy-1H-isoindole-1,3(2H)-dioneHCID 67270216N-(2-butyryl-4-chlorophenyl)trifluoromethanesulfonamide

Product 1

HCID 72491657N-[4-chloro-2-(1-ethoxyiminobutyl)phenyl]trifluoromethanesulfonamide

Sources & evidence

ORD record
ord-2aae488bf34c42b89552a7df1c9230bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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