Potassium Cation → Methyl 4-(1,1-dioxo-isothiazolidin-2-yl)-3-methyl-benzoate

HRID 160287Notes

Reaction equation

HRID 160287 reaction equation
[CH3:20][C:21]([CH3:22])([O-:23])[CH3:24].[Cl:1][CH2:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[NH:8][c:9]1[c:10]([CH3:19])[cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1.[K+:25].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:26]>>[CH2:2]1[CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]1[c:9]1[c:10]([CH3:19])[cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 45749132-Methylpropan-2-olateHCID 43654282Methyl 4-(3-chloro-propyl-sulphonyl-amino)-3-methyl-benzoate

Product 1

HCID 67048536Methyl 4-(1,1-dioxo-isothiazolidin-2-yl)-3-methyl-benzoate

Sources & evidence

ORD record
ord-48248a37a8734471b7f961f802214fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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