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

반응식

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

참가 물질

반응물 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 200259793-(4-chloro-2-fluoro-5-methoxyphenyl)-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 865858983-(4Chloro-6-fluoro-3-methoxy-2-nitrophenyl)-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-b162e4138b6d4dd4b494e43f4ddc0199
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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