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.