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Manuscript title: Cu(II)-catalyzed Friedel-Crafts reaction of 2-thiopyrimidine derivatives with aldehydes utilizing water as cocatalyst in the presence of surfactant: elucidation the role of water on reaction mechanism and tautomerism
DOI: 10.1039/D6OB00101G
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nesterov, Dmytro | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-10-10T21:23:35Z | - |
| dc.date.available | 2026-03-02T14:40:53Z | - |
| dc.date.created | 2024-10-10T23:23:32.994891+02:00 | - |
| dc.date.issued | 2024-10-10T23:23:32.994891+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/328801 | - |
| dc.description | 3e-f-cation_dmso | - |
| dc.publisher | Instituto Superior Técnico, Universidade de Lisboa, Portugal | - |
| dc.publisher | National Institute of Technology Patna, India | - |
| dc.relation | Original title: Cu(II)-catalyzed Friedel-Crafts reaction of 2-thiopyrimidine derivatives with aldehydes utilizing water as cocatalyst in the presence of surfactant: elucidation the role of water on reaction mechanism and tautomerism DOI: 10.1039/D6OB00101G | * |
| dc.relation.uri | http://dx.doi.org/10.1039/D6OB00101G | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Principal_dataset/3e 3e-f-cation_dmso | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-10-10T21:23:35Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.4 | en |
| cml.program.other | RELEASE | en |
| cml.method | DFT | en |
| cml.basisset | AutoAux | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 2 | en |
| cml.energy.value | -1894.60676125 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C16H18N6O2S2 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | bis-(2-thiopyrimidine)_derivatives | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/328801
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