from ClickReaction.Reactions import BocRemoval from tests import TestHelper class BocRemovalTest(TestHelper.ReactionTestCase): reactant_names = ["bocamine"] def setUp(self): self.set_reaction(BocRemoval) def test_one_product(self): reactants = [ # Boc from primary aliphatic amine (("CNC(OC(C)(C)C)=O", ), "CN"), # Boc from primary aniline (("CC(OC(NC1=CC=CC=C1)=O)(C)C", ), "NC1=CC=CC=C1"), # Boc from secondary aliphatic amines (("CN(C)C(OC(C)(C)C)=O", ), "CNC"), # Boc from secondary anilines (("CC(OC(N(C1=CC=CC=C1)C2=CC=CC=C2)=O)(C)C", ), "C1(NC2=CC=CC=C2)=CC=CC=C1"), # Boc from mixed anilines / aliphatic amines (("CN(C(OC(C)(C)C)=O)C1=CC=CC=C1", ), "CNC1=CC=CC=C1"), ] self._test_one_product(reactants, self.reactant_names) # Those tests should not give any product. def test_no_product(self): reactants = [ # Fmoc ("CNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O", ), # Benzyl ("CNCC1=CC=CC=C1", ), # Dimethylamine ("CNC",), # O-Methylcarbamates ("CN(C(OC)=O)C", ), # Ureas ("CN(C(NC)=O)C", ), ] self._test_no_product(reactants, self.reactant_names)