Chloroform → 1-(4-chlorophenyl)-2,5-dihydro-alpha-hydroxy-3-methyl-5-oxo-alpha-trifluoromethyl-1H-pyrazole-4-acetic acid methyl ester

HRID 138019

반응식

HRID 138019 반응식
[CH:25]([Cl:26])([Cl:27])[Cl:28].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[nH:9][c:10]([CH3:14])[cH:11][c:12]2=[O:13])[cH:6][cH:7]1.[F:15][C:16]([C:17]([C:18](=[O:19])[O:20][CH3:21])=[O:22])([F:23])[F:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[nH:9][c:10]([CH3:14])[c:11]([C:17]([C:16]([F:15])([F:23])[F:24])([C:18](=[O:19])[O:20][CH3:21])[OH:22])[c:12]2=[O:13])[cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 6212ChloroformHCID 2734931Methyl 3,3,3-trifluoro-2-oxopropanoateHCID 34428742-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3(2H)-one

생성물 1

HCID 441398191-(4-chlorophenyl)-2,5-dihydro-alpha-hydroxy-3-methyl-5-oxo-alpha-trifluoromethyl-1H-pyrazole-4-acetic acid methyl ester

출처 및 근거

ORD 기록
ord-e86be0e2c2a94db7b08cbe8805d0e683
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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