Synthesis and GIAO NMR Calculations for Novel Heterocyclic Systems: 5,8-Dihydro-4H-Pyrazolo [5,1-D][1,2,5]Triazepin-4-Ones

摘要

Several derivatives of new heterocyclic system - pyrazolo [1, 2, 5] triazepinones have been prepared in two steps. GIAO-calculated NMR chemical shifts (~1H and ~(13)C) are reported for the obtained new compounds. The data are compared with experimental solution data, focusing on the agreement with spectral patterns and spectral trends.