N-heterocyclic compounds are key nitration precursors for some high energy density explosives such as 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX). Nitration of 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane (TAT) yields HMX in high yields and purity. However, the analogue 1,3,5-triacetyl-1,3,5-triazacyclohexane (TRAT) is easily co-produced via the condensation of acetonitrile and 1,3,5-trioxan. To selectively extract TAT from a mixture of TAT and TRAT, the molecular imprinting technology (MIT) was developed in this study. The capacity of the dry polymer is 16mgg(-1) and the recovery surpasses 75%.