Dimethyl Sulfoxide → 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione

HRID 292730

반응식

HRID 292730 반응식
[CH3:17][O:18][c:19]1[cH:20][cH:21][cH:22][c:23]2[c:24]1[C:25](=[O:30])[NH:26][S:27]2(=[O:28])=[O:29].[CH3:35][S:36]([CH3:37])=[O:38].[K:31][C:32]#[N:33].[K:34].[NH2:1][C:2]1=[N:14][S:11](=[O:12])(=[O:13])[c:10]2[c:3]1[c:4]([O:5][CH3:6])[cH:7][cH:8][cH:9]2.[Na+:16].[OH-:15]>>[OH:18][c:19]1[cH:20][cH:21][cH:22][c:23]2[c:24]1[C:25](=[O:30])[NH:26][S:27]2(=[O:28])=[O:29]

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 5462222PotassiumHCID 149840514-Methoxy-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trioneHCID 155671643-Amino-4-methoxy-1,2-benzoisothiazole-1,1-dioxideHCID 178511842HCID 178511842, 화합물

생성물 1

HCID 14865224-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione

출처 및 근거

ORD 기록
ord-79b42836a8d741f2a8f403f8713eacf3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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