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

HRID 948775
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인쇄 미리보기

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HRID 948775 반응식
[Br:26][CH2:27][N:28]1[S:29](=[O:43])(=[O:44])[c:30]2[c:31]([c:34]([CH:40]([CH3:41])[CH3:42])[cH:35][c:36]([O:38][CH3:39])[cH:37]2)[C:32]1=[O:33].[C:20](=[O:21])([O-:22])[O-:23].[CH3:46][OH:47].[Cs+:24].[Cs+:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2[OH:15])[cH:8][cH:9]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:45]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2[O:15][CH2:27][N:28]2[S:29](=[O:43])(=[O:44])[c:30]3[c:31]([c:34]([CH:40]([CH3:41])[CH3:42])[cH:35][c:36]([O:38][CH3:39])[cH:37]3)[C:32]2=[O:33])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178526672HCID 178526672, 화합물

생성물 1

HCID 189225824-isopropyl-6-methoxy-2-[1-(4-nitrophenyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

출처 및 근거

ORD 기록
ord-62c42882c2664a468e23c708b31c0035
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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