Acetone → 5-Cyclohexylsulfanyl-isoindole-1,3-dione

HRID 165632

Reaction equation

HRID 165632 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:29][C:30](=[O:31])[CH3:32].[CH:15]1([SH:21])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1.[ClH:28].[K+:26].[K+:27].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[C:9](=[O:13])[NH:8][C:7]2=[O:14].[OH2:33]>>[c:4]1([S:21][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[C:9](=[O:13])[NH:8][C:7]2=[O:14]

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 69694-NitrophthalimideHCID 15290CyclohexanethiolHCID 19660Carbonate Ion

Product 1

HCID 667129985-Cyclohexylsulfanyl-isoindole-1,3-dione

Sources & evidence

ORD record
ord-3320087875ff4bceb00a8bae4ab40d00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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