Mechanistic insights into the regio- and stereoselectivity of 3+2 cycloaddition reactions between N-methyl-phenylnitrone and trans-1-chloro-2-nitroethylene within the framework of molecular electron density theory

The 3+2 cycloaddition of N -methyl-phenylnitrone and trans -1-chloro-2-nitroethylene reveals high ortho regioselectivity and endo stereoselectivity, supported by MEDT and molecular docking studies, suggesting potential for colorectal cancer therapy.