典型文献
Synthesis,Crystal Structure,Fungicidal Activities and Molecular Docking of Acyl Urea Derivatives Containing 2-Chloronicotine Motif
文献摘要：
Eighteen new acyl urea derivatives containing 2-chloronicotine moiety were synthesized using 2-chloronicotinic acid as starting material via 4 steps conveniently.These 2-chloronicotine acyl urea structures were confirmed by 1H NMR,13C NMR and HRMS.Compound 4r was further confirmed by X-ray diffraction.It crystallizes in the orthorhombic system,space group Pbca with a =7.2960(3),b =14.8546(6),c =25.2840(11) (A),V=2740.3(2) (A)3,Z=8,the final R =0.0442 and wR =0.1033 for 4028 observed reflections with Ⅰ＞ 2σ(Ⅰ).The antifungal activity results demonstrate that some of these compounds possessed good activity against B.cinerea,G.zeae,P.piricola,and P.Capsici at 50 ppm.Further molecular docking results indicated that the key group is urea bridge and pyridine ring.
文献关键词：
中图分类号：
作者姓名：
SUN Guo-Xiang;WANG Qiao;MIN Li-Jing;HAN Liang;LIU Xing-Hai
作者机构：
School of Chemistry and Chemical Engineering,Yancheng Institute of Technology,Yancheng,Jiangsu 224051,China;College of Chemical Engineering,Zhejiang University of Technology,Hangzhou 310014,China;College of Life Science,Key Laboratory of Vector Biology and Pathogen Control of Zhejiang Province,Huzhou University,Huzhou 313000,China
文献出处：
引用格式：
[1]SUN Guo-Xiang;WANG Qiao;MIN Li-Jing;HAN Liang;LIU Xing-Hai-.Synthesis,Crystal Structure,Fungicidal Activities and Molecular Docking of Acyl Urea Derivatives Containing 2-Chloronicotine Motif)[J].结构化学,2022(02):114-122
A类：
Fungicidal,Chloronicotine,chloronicotine,chloronicotinic,piricola,Capsici
B类：
Synthesis,Crystal,Structure,Activities,Molecular,Docking,Acyl,Urea,Derivatives,Containing,Motif,Eighteen,new,acyl,urea,derivatives,containing,moiety,were,synthesized,using,acid,starting,material,via,steps,conveniently,These,structures,confirmed,by,1H,NMR,13C,HRMS,Compound,4r,was,further,ray,diffraction,It,crystallizes,orthorhombic,system,space,group,Pbca,final,wR,observed,reflections,antifungal,activity,results,demonstrate,that,some,these,compounds,possessed,good,against,cinerea,zeae,ppm,Further,molecular,docking,indicated,key,bridge,pyridine,ring
AB值：
0.712286
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机标中图分类号，由域田数据科技根据网络公开资料自动分析生成，仅供学习研究参考。
