Methanol → 2-Phenylthiomethyl-4-(3-methylbutyl)-5-methyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide

HRID 89616

Reaction equation

HRID 89616 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:2][CH:3]([CH2:4][CH2:5][CH:6]1[C:7](=[O:14])[NH:8][S:9](=[O:12])(=[O:13])[N:10]1[CH3:11])[CH3:15].[CH3:31][OH:32].[Cs+:20].[Cs+:21].[Cs:1].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[c:22]1([S:28][CH2:29][Cl:30])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH3:2][CH:3]([CH2:4][CH2:5][CH:6]1[C:7](=[O:14])[N:8]([CH2:29][S:28][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[S:9](=[O:12])(=[O:13])[N:10]1[CH3:11])[CH3:15]

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 81623Chloromethyl phenyl sulphideHCID 104967Cesium cation2×HCID 5354618CesiumHCID 189222624-(3-Methylbutyl)-5-methyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide

Product 1

HCID 194244062-Phenylthiomethyl-4-(3-methylbutyl)-5-methyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide

Sources & evidence

ORD record
ord-3de0676768144e9ca028083a7b38ff46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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