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

HRID 137015
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HRID 137015 반응식
[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].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2[OH:14])[cH:7][cH:8]1.[F-:38].[K+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2[O:14][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:7][cH:8]1
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참가 물질

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반응물 6

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 28179Fluoride IonHCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178492075HCID 178492075, 화합물

생성물 1

HCID 18922584
4-isopropyl-6-methoxy-2-[1-(4-methoxyphenyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-1174c7c0ccc847ebaa368ca7bc4b63a0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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