| from ClickReaction.BaseReaction import BaseReaction, Reactant, Reactants |
|
|
|
|
| class SulfonAmideFormation(BaseReaction): |
| """ |
| Formation of sulfon amides from sulfonyl halogenides and amines |
| |
| amine + sulfonylhalogenide -> sulfonamide |
| """ |
|
|
| reactant_names = ["amine", "sulfonylhalogenide"] |
|
|
| def __init__(self, amine: Reactant, sulfonylhalogenide: Reactant): |
| self.set_reactants({ |
| "amine": amine, |
| "sulfonylhalogenide": sulfonylhalogenide, |
| }) |
|
|
| def __runReaction__(self, reactants: Reactants): |
| return self._rdReaction.RunReactants((reactants["amine"], reactants["sulfonylhalogenide"])) |
|
|
|
|
| smarts = """ |
| [ |
| $([NX3H3]), |
| $([NX4H4]), |
| $([NX3H2]-[#6]), |
| $([NX4H3]-[#6]), |
| $([#7X3H1]([#6])([#6])), |
| $([#7X4H2]([#6])([#6])) |
| :1] |
| |
| . |
| |
| [#6:2]-[$([SX4](~[OX1H0])(~[OX1H0]))]-[F,Cl,Br,I;X1] |
| |
| >> |
| |
| [#7+0:1]-[S+2](-[O-])(-[O-])-[*:2] |
| """ |
|
|
| SulfonAmideFormation.set_reaction_smarts(smarts) |
