Acetic Acid → Sulfinpyrazone

HRID 156978Notes

Reaction equation

HRID 156978 reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[K+:39].[K+:40].[OH2:41].[S:29](=[O:30])([O:31][O:32][S:33]([O-:34])(=[O:35])=[O:36])([O-:37])=[O:38].[c:1]1([N:7]2[N:8]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[C:9](=[O:22])[CH:10]([CH2:13][CH2:14][S:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[C:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]2[N:8]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[C:9](=[O:22])[CH:10]([CH2:13][CH2:14][S:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)=[O:30])[C:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 962WaterHCID 773271,2-Diphenyl-4-(2-(phenylthio)ethyl)-3,5-pyrazolidinedioneHCID 107879Peroxydisulfate

Product 1

HCID 5342Sulfinpyrazone

Sources & evidence

ORD record
ord-6fc6ac99d5384446bc0aff3750c0e1fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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