Thionyl Chloride → 3-(4-t-Butylphenyl)-4-chlorocarbonyl-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one

반응식

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

참가 물질

반응물 2

HCID 24386Thionyl Chloride

HCID 218376453-(4-t-Butylphenyl)-1-(4-cyanophenyl)-4-hydroxycarbonyl-2-methyl-2H-pyrazol-5-one

생성물 1

HCID 154355013-(4-t-Butylphenyl)-4-chlorocarbonyl-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one

출처 및 근거

ORD 기록: ord-811733a2f7cc484ab22693bb6024ccf9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…