Acetone → 4,4-Dimethyl-N-[(4-methylphenyl)sulfonyl]-2,6-dioxocyclohexanecarboxamide

HRID 190623Notes

Reaction equation

HRID 190623 reaction equation
[CH3:1][C:2]1([CH3:10])[CH2:3][C:4](=[O:9])[CH2:5][C:6](=[O:8])[CH2:7]1.[CH3:30][C:31](=[O:32])[CH3:33].[CH3:35][C:36]([CH3:37])=[O:38].[CH3:39][OH:40].[CH3:41][C:42]([CH3:43])=[O:44].[CH3:46][OH:47].[OH2:34].[OH2:45].[c:11]1([CH3:23])[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]=[C:21]=[O:22])[cH:15][cH:16]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][C:2]1([CH3:10])[CH2:3][C:4](=[O:9])[CH:5]([C:21]([NH:20][S:17]([c:14]2[cH:13][cH:12][c:11]([CH3:23])[cH:16][cH:15]2)(=[O:18])=[O:19])=[O:22])[C:6](=[O:8])[CH2:7]1

Participants

7

Reactant 6

HCID 180Acetone3×HCID 241BenzeneHCID 887Methanol2×HCID 962Water2×HCID 31358DimedoneHCID 77703p-Toluenesulfonyl isocyanate

Product 1

HCID 203255994,4-Dimethyl-N-[(4-methylphenyl)sulfonyl]-2,6-dioxocyclohexanecarboxamide

Sources & evidence

ORD record
ord-0cd50ea0d997406c81b42f02845330a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…