Nitric Acid → 4-nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzo-2,1,3-oxadiazole N-oxide

반응식

[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]3[c:8]([n+:9]([O-:12])[o:10][n:11]3)[cH:13][cH:14]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[OH:23][N+:24]([O-:25])=[O:26].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([N+:24](=[O:23])[O-:25])[c:7]3[c:8]([n+:9]([O-:12])[o:10][n:11]3)[cH:13][cH:14]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1

참가 물질

반응물 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 135343365-(2-chloro-4-trifluoromethylphenoxy)benzo-2,1,3-oxadiazole N-oxide

생성물 1

HCID 542481884-nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzo-2,1,3-oxadiazole N-oxide

출처 및 근거

ORD 기록: ord-b9f4e2e97dea49938a729c188a280795
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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