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;

    • is supposed to be a stable tautomer (normal canonical tautomer).

    • 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

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    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.