Supporting Information: Harnessing Noncovalent π‑Type Interactions in Thiourea–Chloride Supramolecular Complexes: Toward the Asymmetric Dearomatization of Diazaheterocycles
Experimental procedures; material and methods; catalyst screening; characterization data for new compounds; HPLC traces; NMR titration studies, molecular dynamics (MD); and detailed DFT calculations
| Autores: | , , , , , , |
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| Tipo de recurso: | conjunto de datos |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/404892 |
| Acceso en línea: | http://hdl.handle.net/10261/404892 |
| Access Level: | acceso abierto |
| Palabra clave: | Salts might favor Observed nonlinear effect Mechanistic investigations suggest Key noncovalent π Computational data support Bond donor catalyst Antiparallel orientation around Activation model via Two thiourea molecules Thereby providing access Benzoyliminium chlorides Diazaheterocycles enantioselective dearomatizat Benzoyliminium Thereby maximizing Derived thiourea Asymmetric dearomatization Leucine Type interactions Stereodefined insertion Process involves Phosphorus nucleophiles Nucleophilic addition Low solubility Enantioinduction event Binding catalysis Biophysics Biochemistry Crystallography |
| Sumario: | Experimental procedures; material and methods; catalyst screening; characterization data for new compounds; HPLC traces; NMR titration studies, molecular dynamics (MD); and detailed DFT calculations |
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