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bonders=(1, ),
deleters=(),
),
stk.SmartsFunctionalGroupFactory(
smarts='[#6]~[#7X2]~[#6]',
bonders=(1, ),
deleters=(),
),
]
)
iron_complex = stk.ConstructedMolecule(
stk.metal_complex.OctahedralDelta(
metals={metal_atom: 0},
ligands={complex_ligand: (0, 1, 2)},
reaction_factory=stk.DativeReactionFactory(
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
)
iron_complex = stk.BuildingBlock.init_from_molecule(
molecule=iron_complex,
functional_groups=[stk.BromoFactory()]
)
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
),
smiles=(
'[H]C1=C([H])C([H])=N2->[Fe+2]34(<-N(Br)=C([H])C2=C1[H'
'])(<-N(Br)=C([H])C1=C([H])C([H])=C([H])C([H])=N->31)'
'<-N(Br)=C([H])C1=C([H])C([H])=C([H])C([H])=N->41'
),
),
bonders=(1, ),
deleters=(),
),
stk.SmartsFunctionalGroupFactory(
smarts='[#6]~[#7X2]~[#6]',
bonders=(1, ),
deleters=(),
),
]
)
iron_complex = stk.ConstructedMolecule(
stk.metal_complex.OctahedralDelta(
metals={metal_atom: 0},
ligands={complex_ligand: (0, 1, 2)},
reaction_factory=stk.DativeReactionFactory(
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
)
iron_complex = stk.BuildingBlock.init_from_molecule(
molecule=iron_complex,
functional_groups=[stk.BromoFactory()]
)
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
),
smiles=(
'[H]C1=C([H])C2=C([H])C(=C1[H])C1=C([H])C([H])=N(->['
'Pd+2]34<-N5=C([H])C([H])=C(C([H])=C5[H])C5=C([H])C('
'[H])=C([H])C(=C5[H])C5=C([H])C([H])=N(->[Pd+2]67<-N'
'8=C([H])C([H])=C(C([H])=C8[H])C8=C([H])C([H])=C([H]'
')C(=C8[H])C8=C([H])C([H])=N(->[Pd+2]9(<-N%10=C([H])'
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
),
smiles=(
'[H]C1=C([H])C2=C([H])C(=C1[H])C1=C([H])C([H])=N(->['
'Pd+2]34<-N5=C([H])C([H])=C(C([H])=C5[H])C5=C([H])C('
'[H])=C([H])C(=C5[H])C5=C([H])C([H])=N(->[Pd+2]6(<-N'
'7=C([H])C([H])=C(C([H])=C7[H])C7=C([H])C([H])=C([H]'
')C(=C7[H])C7=C([H])C([H])=N(->[Pd+2](<-N8=C([H])C(['
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
),
smiles=(
'[H]C1([H])C([H])([H])N([H])([H])->[Pd+2]2(<-N1([H])'
'[H])<-N([H])([H])C([H])([H])C([H])([H])N->2([H])[H]'
),
),
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
),
smiles=(
'[H]C1=C([H])C2=C([H])C(=C1[H])C1=C([H])C([H])=N(->['
'Pd+2]34<-N5=C([H])C([H])=C(C([H])=C5[H])C5=C([H])C(['
'H])=C([H])C(=C5[H])C5=C([H])C([H])=N(->[Pd+2]67<-N8='
'C([H])C([H])=C(C([H])=C8[H])C8=C([H])C([H])=C([H])C('
'=C8[H])C8=C([H])C([H])=N(->[Pd+2]9%10<-N%11=C([H])C('
bonders=(1, ),
deleters=(),
),
stk.SmartsFunctionalGroupFactory(
smarts='[#6]~[#7X2]~[#6]',
bonders=(1, ),
deleters=(),
),
]
)
iron_complex = stk.ConstructedMolecule(
stk.metal_complex.OctahedralDelta(
metals={metal_atom: 0},
ligands={complex_ligand: (0, 1, 2)},
reaction_factory=stk.DativeReactionFactory(
stk.GenericReactionFactory(
bond_orders={
frozenset({
stk.GenericFunctionalGroup,
stk.SingleAtom
}): 9
}
)
)
)
)
iron_complex = stk.BuildingBlock.init_from_molecule(
molecule=iron_complex,
functional_groups=[stk.BromoFactory()]
)