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Abstract
A series of sixteen substituted pyrazole oxadiazole derivatives are designed, synthesised and characterized by 1H NMR, 13C NMR and mass spectrometry. The ligands have been docked with Acetylcholine receptor to understand the binding efficiency and amino acids interactions, indicative of all of the sixteen molecules bind efficiently better than Fipronil and Pyrafluprole. These compounds will provide a lead for designing new compounds with improved insecticidal activity.
Supplementary materials
Title
Copies of NMR Spectra & HRMS
Description
All anhydrous solvent were dried and purified by standard techniques prior to their use. The progress of the reaction was monitored by thin layer chromatography (TLC) using pre-coated Merck silica gel 60 F254 TLC plate. The spots were visualized by UV or by iodine vapour. Melting points (m.p. values) were determined on melting point apparatus and are uncorrected. The 1H and 13C NMR spectra were recorded on Bruker at 400 MHz spectrometer (Germany) using tetramethylsilane (TMS) as an internal standard. The chemical shift values are recorded on δ scale and the coupling constants (J) are in Hertz. Mass spectrometry was recorded on waters, Q-TOF MICROMASS (LC-MS).
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