Abstract In the mid-19th century, cisplatin was accidentally synthesized in the laboratory. From the end of the 18th century to the 1880s, the complex theory based on atomic-molecular theory explored the structure of cisplatin from relying on macroscopic phenomena and empirical induction to hypothetical deduction at the microscopic level. The discovery of the electron at the end of the 19th century brought the complex theory into the electronic age, and thus gave a new explanation for the structure of cisplatin. The anticancer value of cisplatin was discovered in the 1960s, and cisplatin is still being improved to reduce its side effects. The synthesis and anti-cancer application process of cisplatin includes the process of understanding the substance from the outside to the inside, showing the dynamic development process of chemists' understanding and transforming substances, which has important implications for chemical research and chemical education.