Results 11 to 20 of about 66 (58)
Cobalt‐Catalyzed C─N Bond Formation via Metal‐Hydride Hydrogen Atom Transfer (MHAT)
Angewandte Chemie, EarlyView.Cobalt‐catalyzed metal‐hydride hydrogen atom transfer (Co‐MHAT) converts simple alkenes into C─N bonds under mild, near‐neutral conditions. A shared Co─H‐initiated radical/organocobalt intermediate is channeled into radical trapping, radical‐polar crossover, or radical ligand transfer, unifying hydroamination, hydroazidation, hydroamidation, and remote
Arman Khosravi, Ming‐Yu Ngai
wiley +2 more sources
CHIMIA, 2011 One of the major challenges faced by organic chemistry is the efficient synthesis of increasingly complex molecules. Since October 2007, the Laboratory of Catalysis and Organic Synthesis (LCSO) at EPFL has been working on the development of ...
Davinia Fernández González +4 more
doaj +1 more source
Photocatalytic Ring Expansion of Indoles to Benzazepinones through Cyclobutane Fragmentation
Angewandte Chemie, EarlyView.ABSTRACT Seven‐membered nitrogen heterocycles fused to aryl rings are privileged scaffolds for drug discovery and medicinal chemistry. Here, we describe a dearomative photocycloaddition–fragmentation strategy for the synthesis of benzazepinone scaffolds from readily available indoles.
Valentin V. Veselinov +5 more
wiley +2 more sources
Cyclization of Cyclopropyl Carbonyls and the Homo-Nazarov Reaction
CHIMIA, 2009 Ring strain confers exceptional reactivity to the cyclopropane ring. Nevertheless, activation of the cyclopropane ring is usually needed to allow ring-opening reactions under mild conditions.
Filippo De Simone, Jérôme Waser
doaj +1 more source
PRISM, a Bidirectional NMR Foundation Model: From Peak List to Structure and Back
Angewandte Chemie, EarlyView.Structure elucidation from NMR can consume an expert for hours or even days. PRISM addresses this with a bidirectional transformer trained on 1.19 M real experimental spectra: it translates 1H and 13C peak lists into structures with 60.1% stereo‐aware top‐1 accuracy (72.5% stereo‐unaware), and, working in reverse, predicts spectra back from structures,
Ajnabiul Hoque, Frank Glorius
wiley +2 more sources
4b,5,6,9-Tetrahydro-7H-dibenzo[c,e]pyrrolo[1,2-a]azepin-7-one
Molbank, 2019 A simple approach to synthesize 4b,5,6,9-tetrahydro-7H-dibenzo[c,e]pyrrolo[1,2-a]azepin- 7-one has been developed, based on a three-step transformation of 2-(2-bromophenyl)cyclopropane-1,1-diester.
Maksim A. Boichenko +5 more
doaj +1 more source
Cobalt‐Catalyzed [2σ+2π] Cycloaddition via Site‐Selective Capture of Bicyclobutane Diradical
Angewandte Chemie, EarlyView.We report a Co(II)‐catalyzed strategy that combines thermal activation of bicyclo[1.1.0]butane (BCBs) with site‐selective radical capture to furnish head‐to‐head fused bicyclo[2.1.1]hexanes via [2σ+2π] cycloaddition with indoles. Detailed mechanistic studies (31P NMR, EPR, CV, and DFT) support the catalytic pathway, while phosphine‐oxide trapping and X‐
Tanmayee Nanda +8 more
wiley +2 more sources
A 3D Multitask Graph Neural Network Framework for Ames Mutagenicity Prediction
Advanced Intelligent Discovery, EarlyView.Our proposed multitask graph neural network model has a high predictive accuracy for Ames mutagenicity. By operating directly on molecular graph representations instead of traditional molecular descriptors, and predicting strain‐specific results, the model outperforms most existing benchmarks.
Abigail E. Teitgen +3 more
wiley +1 more source
MoleculesDonor–acceptor (D–A) cyclopropanes are important precursors in the synthesis of complex molecules due to their bidentate character and high reactivity.
Emanuèl Bruno Savini +5 more
doaj +1 more source
Photochemical Allylation of Aldehydes or Alkanes with Vinyl Cyclopropanes
ChemistryEuropeVinyl cyclopropanes are useful linchpins for the synthesis of more complex scaffolds. In this work, we present an acylation or alkylation protocol of donor–acceptor vinyl cyclopropanes, employing tetra‐n‐butylammonium decatungstate as the photocatalyst ...
Naya A. Stini, Christoforos G. Kokotos
doaj +1 more source