Water → 5-Amino-1-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)pyrazole

반응식

[NH2:1][c:2]1[c:3]([C:21]([O:22][CH2:23][CH3:24])=[O:25])[cH:4][n:5][n:6]1-[c:7]1[c:8]([F:20])[c:9]([F:19])[c:10]([C:15]([F:16])([F:17])[F:18])[c:11]([F:14])[c:12]1[F:13].[OH2:31].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[NH2:1][c:2]1[cH:3][cH:4][n:5][n:6]1-[c:7]1[c:8]([F:20])[c:9]([F:19])[c:10]([C:15]([F:16])([F:17])[F:18])[c:11]([F:14])[c:12]1[F:13]

참가 물질

반응물 3

HCID 962Water

HCID 1118Sulfuric Acid

HCID 139337085-Amino-4-ethoxycarbonyl-1-(2,3,5,6-tetrafluoro-4-trifluoromethyl-phenyl)-pyrazole

생성물 1

HCID 139337095-Amino-1-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)pyrazole

출처 및 근거

ORD 기록: ord-f368f58b0fcc49439e5a59bfb307e3fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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