Six possible Diels Alder reaction channels of 1,3 cyclohexa diene with propionitrile leading to two types of exo and endo products have been studied by using ab initio method at 3 21G level.

• 采用从头算方法在3－21G基组上，对1，3环己二烯与丙腈diels－Alder反应所有可能的反应通道进行了研究。