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Tautomerize

This action creates a canonical/standard tautomer form of the molecule.

The created tautomer:

  • represents a group of tautomers which can transform into each other;
  • from version 23.3.0 tautomerize action can also create the canonical tautomer: tautomerize:canonical
  • the default is the normal canonical tautomer: tautomerize or tautomerize:normalCanonical

Example :

Action Input Output
Tautomerize (tautomerize) images/download/attachments/1803712/tautomerize_in.png images/download/attachments/1803712/tautomerize_out.png
Tautomerize:normalCanonical (tautomerize)
Tautomerize:canonical

Note :

  • The created tautomer is always returned in dearomatized form.
  • Action "tautomerize" ungroups all S-groups. After performing "tautomerize", the molecules will not contain any S-groups.