DESIGN, SYNTHESIS AND BIOLOGICAL-ACTIVITY OF NOVEL HERBICIDES TARGETED ALS (VI) - THE ELECTRONIC-STRUCTURE OF HERBICIDAL PYRIMIDINYL(THIO)ETHER COMPOUNDS AND THE MOLECULAR DESIGN OF NOVEL HERBICIDES
Gf. Yang et al., DESIGN, SYNTHESIS AND BIOLOGICAL-ACTIVITY OF NOVEL HERBICIDES TARGETED ALS (VI) - THE ELECTRONIC-STRUCTURE OF HERBICIDAL PYRIMIDINYL(THIO)ETHER COMPOUNDS AND THE MOLECULAR DESIGN OF NOVEL HERBICIDES, Gaodeng xuexiao huaxue xuebao, 19(2), 1998, pp. 222-227
Pyrimidinyl(thio)ether compounds are a kind of novel class of ALS inhi
bitors, In view of quantum pharmacology, their electronic structure wa
s firstly investigated by means of quantum chemical calculations, The
results revealed that there is a large electronegative region around t
he pyrimidinyl moiety in the highly active molecule. The herbicidal ac
tivity is related to the potency of electric charge translocation of t
he heterocyclic regions, On the basis of the above results, a novel ki
nd of herbicides was designed and synthesized and was found to exhibit
a good herbicidal activity with pI(C50) over 7.