Tautomerize

This action creates a normal canonical or canonical tautomer form of the molecule.

The created tautomer:

• represents a group of tautomers which can transform into each other;

• is supposed to be a stable tautomer;

• from version 23.3.0 tautomerize action can also create the canonical tautomer: tautomerize:method=CANONICAL

• the default is the normal canonical tautomer: tautomerize or tautomerize:method=NORMAL_CANONICAL (see tautomerization and tautomers for more details on tautomerization methods)

  ​

Example :

Action	Input	Output
Tautomerize to generate the normal canonical form (default) (tautomerize:method='NORMAL_CANONICAL')
Tautomerize to generate the canonical form (tautomerize:method='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.