Pyridine → methyl 2-chloro-5-[2-chloro-6-oxo-4-trifluoromethyl-1(6H)-pyrimidinyl]-4-fluorobenzoate

반응식

[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9](-[n:13]2[c:14](=[O:24])[nH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][c:18]2=[O:19])[c:10]([F:12])[cH:11]1.[P:25]([Cl:26])([Cl:27])([Cl:28])=[O:29].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9](-[n:13]2[c:14]([Cl:27])[n:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][c:18]2=[O:19])[c:10]([F:12])[cH:11]1

참가 물질

반응물 3

HCID 1049Pyridine

HCID 24813Phosphorus oxychloride

HCID 12056787Methyl 2-chloro-5-(2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)-4-fluorobenzoate

생성물 1

HCID 21270772methyl 2-chloro-5-[2-chloro-6-oxo-4-trifluoromethyl-1(6H)-pyrimidinyl]-4-fluorobenzoate

출처 및 근거

ORD 기록: ord-36a18f3fa5b549a4ae6aff80f9f51f18
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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