Nitric Acid → 3-(4-chloro-2-fluoro-5-nitrophenyl)-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

반응식

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

참가 물질

반응물 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 189164113-(4-Chloro-2-fluorophenyl)-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 183659053-(4-chloro-2-fluoro-5-nitrophenyl)-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-c3e600804bd249328f7bee5b8dad15b3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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