Dearomatization

The general dearomatization method works as follows:

  • Locate the aromatic electron fog.

  • Locate special bonds, that should be single (e.g. all the bonds around a trivalent nitrogen should be single).

  • Place alternating single and double bonds instead of aromatic ones.

  • This method does not check by default if Hückel's rule is valid. Molconvert has options, that check the validity of Hückel's rule:

    • "huckel": checks the validity of Hückel's rule, if not valid dearomatization isn't carried out, but no error message is sent.

    • "huckel_ex": if Hückel's rule is not valid, the program terminates with an error message.