Potassium Cation → 6,6-Dimethyl-1,2,6,7-tetrahydrodicyclopenta[b,d]thiophen-3(5H)-one

HRID 672201Notes

Reaction equation

HRID 672201 reaction equation
[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[Cl:1][CH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([s:10]1)[CH2:11][C:12]([CH3:14])([CH3:15])[CH2:13]2.[K+:26].[K+:27].[OH2:34].[P:21]([O-:22])([O-:23])([OH:24])=[O:25].[S:16](=[O:17])(=[O:18])([OH:19])[OH:20]>>[CH2:2]1[CH2:3][C:4](=[O:5])[c:6]2[c:7]1[c:8]1[c:9]([s:10]2)[CH2:11][C:12]([CH3:14])([CH3:15])[CH2:13]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 3681305Hydrogen phosphateHCID 580442953-Chloro-1-(5,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-one

Product 1

HCID 580436356,6-Dimethyl-1,2,6,7-tetrahydrodicyclopenta[b,d]thiophen-3(5H)-one

Sources & evidence

ORD record
ord-d97ff790610943be81b9efc3692edb10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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