Results 31 to 40 of about 2,093,219 (268)
Reaction dynamics of Diels-Alder reactions from machine learned potentials [PDF]
, 2022 Recent advances in the development of reactive machine-learned potentials (MLPs) promise to transform reaction modelling. However, such methods have remained computationally expensive and limited to experts.
Fernanda, Duarte +3 more
core +2 more sources
Hetero-Diels-Alder Reaction between Singlet Oxygen and Anthracene Drives Integrative Cage Self-Sorting. [PDF]
J Am Chem Soc, 2023 A ZnII8L6 pseudo-cube containing anthracene-centered ligands, a ZnII4L’4 tetrahedron with similar side length as the cube, and a trigonal prism ZnII6L3L’2 formed in equilibrium from a common set of subcomponents.
Yang Y +6 more
europepmc +4 more sources
Data in Brief, 2019 The data present in this article affords insides in the characterization of a newly described bi-functional furan-melamine monomer, which is used for the production of monodisperse, furan-functionalized melamine-formaldehyde particles, as described in ...
Katharina Urdl +6 more
doaj +1 more source
Green Synthesis and Catalysis, 2021 An uncommon aza-Diels-Alder reaction of electron-deficient azoalkenes and electron-deficient 3-phenacylideneoxindoles was successfully developed for convenient construction of the heterocyclic spirooxindoles.
Wenjing Shi, Jing Sun, Chao-Guo Yan
doaj +1 more source
Diels–Alder Cycloaddition Reactions in Sustainable Media
Molecules, 2022 Diels–Alder cycloaddition reaction is one of the most powerful strategies for the construction of six-membered carbocyclic and heterocyclic systems, in most cases with high regio- and stereoselectivity.
Maria I. L. Soares +2 more
doaj +1 more source
Molecules, 2020 The study of Diels−Alder reactions in materials science is of increasing interest. The main reason for that is the potential thermoreversibility of the reaction.
Jamerson Carneiro de Oliveira +2 more
doaj +1 more source
Oxidative [4+2] annulation of styrenes with alkynes under external-oxidant-free conditions
Nature Communications, 2018 A sequence of a Diels–Alder reaction and oxidation is a powerful route to valuable aromatic compounds. Here, the authors report a more atom-economical oxidant-free strategy involving a Diels–Alder with H2 evolution under noble-metal-free photoredox ...
Guoting Zhang +5 more
doaj +1 more source
Investigating Cavity Quantum Electrodynamics-Enabled Endo/Exo-Selectivities in a Diels-Alder Reaction. [PDF]
J Phys Chem ACoupling molecules to a quantized radiation field inside an optical cavity has shown great promise in modifying chemical reactivity. It was recently proposed that strong light-matter interactions are able to differentiate endo/exo products of a Diels ...
Wang J, Weight BM, Huo P.
europepmc +3 more sources
Stepwise radical cation Diels–Alder reaction via multiple pathways
Beilstein Journal of Organic Chemistry, 2018 Herein we disclose the radical cation Diels–Alder reaction of aryl vinyl ethers by electrocatalysis, which is triggered by an oxidative SET process. The reaction clearly proceeds in a stepwise fashion, which is a rare mechanism in this class.
Ryo Shimizu, Yohei Okada, Kazuhiro Chiba
doaj +1 more source
Theoretical study on the Diels-Alder reaction of bromo-substituted 2H-pyrane-2-ones and some substituent vinyls [PDF]
Journal of the Serbian Chemical Society, 2015 A DFT study of the reactivity, regio- and stereoselectivity of Diels-Alder reaction between 3-bromo, 5-bromo, and 3,5-dibromo-2(H)-pyran-2-ones and some weakly activated and unactivated alkenes has been carried out using density functional ...
Haghdadi Mina, Amani Hamed, Nab Nasim
doaj +1 more source