rdkit.Chem.rdDeprotect module — The RDKit 2025.09.6 documentation

# rdkit.Chem.rdDeprotect module

rdkit.Chem.rdDeprotect.Deprotect((rdkit.Chem.rdchem.Mol)mol[, (object)deprotections=None]) → rdkit.Chem.rdchem.Mol :

  Return the deprotected version of the molecule.

  C++ signature :

    boost::shared_ptr<RDKit::ROMol> Deprotect(RDKit::ROMol [,boost::python::api::object=None])

class rdkit.Chem.rdDeprotect.DeprotectData((object)self, (str)deprotection_class, (str)reaction_smarts, (str)abbreviation, (str)full_name) → None :

  Bases: `instance`

  DeprotectData class, contains a single deprotection reaction and information

  deprotectdata.deprotection_class - functional group being protected deprotectdata.reaction_smarts - reaction smarts used for deprotection deprotectdata.abbreviation - common abbreviation for the protecting group deprotectdata.full_name - full name for the protecting group

  Construct a new DeprotectData instance.

        >>> reaction_class = "amine"
        >>> reaction_smarts = "[C;R0][C;R0]([C;R0])([O;R0][C;R0](=[O;R0])[NX3;H0,H1:1])C>>[N:1]"
        >>> abbreviation = "Boc"
        >>> full_name = "tert-butyloxycarbonyl"
        >>> data = DeprotectData(reaction_class, reaction_smarts, abbreviation, full_name)
        >>> assert data.isValid()

  C++ signature :

    void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)

  property abbreviation

    None( (rdkit.Chem.rdDeprotect.DeprotectData)arg1) -> str:

    C++ signature :

      std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > {lvalue} None(RDKit::Deprotect::DeprotectData {lvalue})

  property deprotection_class

    None( (rdkit.Chem.rdDeprotect.DeprotectData)arg1) -> str:

    C++ signature :

      std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > {lvalue} None(RDKit::Deprotect::DeprotectData {lvalue})

  property example

    None( (rdkit.Chem.rdDeprotect.DeprotectData)arg1) -> str:

    C++ signature :

      std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > {lvalue} None(RDKit::Deprotect::DeprotectData {lvalue})

  property full_name

    None( (rdkit.Chem.rdDeprotect.DeprotectData)arg1) -> str:

    C++ signature :

      std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > {lvalue} None(RDKit::Deprotect::DeprotectData {lvalue})

  isValid((DeprotectData)self) → bool :

    Returns True if the DeprotectData has a valid reaction

    C++ signature :

      bool isValid(RDKit::Deprotect::DeprotectData {lvalue})

  property reaction_smarts

    None( (rdkit.Chem.rdDeprotect.DeprotectData)arg1) -> str:

    C++ signature :

      std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > {lvalue} None(RDKit::Deprotect::DeprotectData {lvalue})

class rdkit.Chem.rdDeprotect.DeprotectDataVect((object)arg1) → None :

  Bases: `instance`

  C++ signature :

    void __init__(_object*)

  append((DeprotectDataVect)arg1, (object)arg2) → None :
    C++ signature :

      void append(std::vector<RDKit::Deprotect::DeprotectData, std::allocator<RDKit::Deprotect::DeprotectData> > {lvalue},boost::python::api::object)

  extend((DeprotectDataVect)arg1, (object)arg2) → None :
    C++ signature :

      void extend(std::vector<RDKit::Deprotect::DeprotectData, std::allocator<RDKit::Deprotect::DeprotectData> > {lvalue},boost::python::api::object)

rdkit.Chem.rdDeprotect.DeprotectInPlace((rdkit.Chem.rdchem.Mol)mol[, (object)deprotections=None]) → bool :

  Deprotects the molecule in place.

  C++ signature :

    bool DeprotectInPlace(RDKit::ROMol {lvalue} [,boost::python::api::object=None])

rdkit.Chem.rdDeprotect.GetDeprotections() → DeprotectDataVect :

  Return the default list of deprotections

  C++ signature :

    std::vector<RDKit::Deprotect::DeprotectData, std::allocator<RDKit::Deprotect::DeprotectData> > GetDeprotections()