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be59fdd | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 | from ClickReaction.Reactions import FmocRemoval
from tests import TestHelper
class FmocRemovalTest(TestHelper.ReactionTestCase):
reactant_names = ["fmocamine"]
def setUp(self):
self.set_reaction(FmocRemoval)
def test_one_product(self):
reactants = [
# Fmoc from primary aliphatic amine
(("CNC(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O", ), "CN"),
# Fmoc from primary aniline
(("O=C(NC1=CC=CC=C1)OCC2C(C=CC=C3)=C3C4=C2C=CC=C4", ), "NC1=CC=CC=C1"),
# Fmoc from secondary aliphatic amines
(("CN(C)C(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O", ), "CNC"),
# Fmoc from secondary anilines
(("O=C(N(C1=CC=CC=C1)C2=CC=CC=C2)OCC3C(C=CC=C4)=C4C5=C3C=CC=C5", ), "C1(NC2=CC=CC=C2)=CC=CC=C1"),
# Fmoc from mixed anilines / aliphatic amines
(("CN(C(OCC1C(C=CC=C2)=C2C3=C1C=CC=C3)=O)C4=CC=CC=C4", ), "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 = [
# Boc
("CNC(OC(C)(C)C)=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)
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