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

HRID 2130142
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HRID 2130142 반응식
[Br:20][CH2:21][N:22]1[S:23](=[O:37])(=[O:38])[c:24]2[c:25]([c:28]([CH:34]([CH3:35])[CH3:36])[cH:29][c:30]([O:32][CH3:33])[cH:31]2)[C:26]1=[O:27].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]2[OH:13])[n:6][cH:7]1.[F-:18].[K+:19].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]2[O:13][CH2:21][N:22]2[S:23](=[O:37])(=[O:38])[c:24]3[c:25]([c:28]([CH:34]([CH3:35])[CH3:36])[cH:29][c:30]([O:32][CH3:33])[cH:31]3)[C:26]2=[O:27])[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium CationHCID 6228DimethylformamideHCID 28179Fluoride IonHCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178516155HCID 178516155, 화합물

생성물 1

HCID 18922550
4-isopropyl-6-methoxy-2-[1-(5-chloro-2-pyridyl)-3-(trifluoromethyl)pyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-8101320fc0d343e9a90c3c77f1622063
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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