Abstract: In response to the problems currently existing in the organic chemistry experiment course, such as the outdated textbooks and teaching model, inaccurate understanding of experimental conditions, processes and principles, and the lack of comprehensive analysis ability of products, this paper explores the teaching model that incorporates organic synthesis, modern testing technology, and computational chemistry. In the teaching of pseudoionone synthesis, the students are guided to verify the product structure, understand the reaction mechanism correctly and learn to control the reaction conditions effectively with the help of nuclear magnetic resonance instrument and other instruments and molecular simulation. It is aimed to reinforce the connection between basic organic chemistry experiments and various disciplines, and gradually cultivate students’ meticulous attitude and comprehensive research ability.