Potassium Cation → 4-isopropyl-6-methoxy-2-[1-(4-pyridyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

HRID 1115212Notes

Reaction equation

HRID 1115212 reaction equation
[Br:19][CH2:20][N:21]1[S:22](=[O:36])(=[O:37])[c:23]2[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]2)[C:25]1=[O:26].[F-:17].[K+:18].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[n:1]1[cH:2][cH:3][c:4](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[OH:12])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[O:12][CH2:20][N:21]2[S:22](=[O:36])(=[O:37])[c:23]3[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]3)[C:25]2=[O:26])[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 6228DimethylformamideHCID 28179Fluoride IonHCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178516159HCID 178516159, compound

Product 1

HCID 189225674-isopropyl-6-methoxy-2-[1-(4-pyridyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-3d4805a9ede14dccb1b753457356bcf1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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