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

반응식

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

참가 물질

반응물 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 112557471-methyl-6-trifluoromethyl-3-(4-chloro-2-fluorophenyl)-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 111528343-(4-chloro-2-fluoro-5-nitrophenyl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-fb2ca27307ed41608419af302b3af439
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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