rdkit.Chem.rdDeprotect module

Module containing the Deprotect functionality for removing protecting groups from molecules.

class rdkit.Chem.rdDeprotect.DeprotectData(self, deprotection_class: str, reaction_smarts: str, abbreviation: str, full_name: str)

Bases: object

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()

property abbreviation

(self) -> str

property deprotection_class

(self) -> str

property example

(self) -> str

property full_name

(self) -> str

isValid(self) → bool

Returns True if the DeprotectData has a valid reaction

property reaction_smarts

(self) -> str