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RESEARCH PAPER · Chemical Communications · 2019

Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut–Currier and [3+2] annulation sequence

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Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut–Currier and [3+2] annulation sequenceOriginalPhosphine Catalyzed Enantioselective Cascade Reaction Initiated by Intermolecular Cross Rauhut‐Currier Reaction of Electron‐Deficient ortho‐Formyl Styrenes9Organocatalytic Synthesis of Heterocycles: A Brief Overview Covering Recent Aspects4Recent Advances in Continuous-Flow Reactions Using Metal-Free Homogeneous Catalysts21Digitization of Organic Synthesis — How Synthetic Organic Chemists Use AI Technology —24Recent advances in the asymmetric transformations of achiral cyclohexadienones81Diastereoselective desymmetrization reactions of prochiral para -quinamines with cyclopropenes generated in situ : access to fused hydroindol-5-one scaffolds9Energy-, time-, and labor-saving synthesis of α-ketiminophosphonates: machine-learning-assisted simultaneous multiparameter screening for electrochemical oxidation39Recent Advances of Asymmetric Catalysis in Flow for Drug Discovery4Synthesis of hydroindoles via desymmetric [3+2] cycloadditions of para -quinamines with photogenerated ketenes29Bayesian reaction optimization as a tool for chemical synthesis1044Combining generative artificial intelligence and on-chip synthesis for de novo drug design187Application of an Electrochemical Microflow Reactor for Cyanosilylation: Machine Learning-Assisted Exploration of Suitable Reaction Conditions for Semi-Large-Scale Synthesis36Rapid and Mild One‐Flow Synthetic Approach to Unsymmetrical Sulfamides Guided by Bayesian Optimization41Machine learning enabling prediction of the bond dissociation enthalpy of hypervalent iodine from SMILES35Chemically-informed data-driven optimization (ChIDDO): leveraging physical models and Bayesian learning to accelerate chemical research21Metal-free C(aryl)–P bond cleavage: experimental and computational studies of the Michael addition/aryl migration of triarylphosphines to alkynyl esters5Recent advances towards organocatalytic enantioselective desymmetrizing reactions81Investigation of Parameter Control for Electrocatalytic Semihydrogenation in a Proton-Exchange Membrane Reactor Utilizing Bayesian Optimization17Black Swan in Phase Transfer Catalysis: Influence of Mixing Mode on the Stereoselectivity of Glycosylation23Improvement of ultralow reflectance Si solar cells by machine-learning-assisted optimization for diffusion process1CONTINUOUS‐FLOW CHEMISTRY IN CATALYTIC ASYMMETRIC SYNTHESIS1Bayesian optimization of electrochemical devices for electrons-to-molecules conversions: the case of pulsed CO 2 electroreduction17Bayesian optimization-driven parallel-screening of multiple parameters for the flow synthesis of biaryl compounds31Silver‐Catalyzed [3+2] Cycloaddition for the Diastereoselective Synthesis of anti ‐3‐Substituted Hydroindolin‐2‐Imines10Asymmetric synthesis of bicyclic pyran scaffolds bearing two oxa-quaternary stereocenters via zinc-catalyzed [5 + 1] annulations14Machine learning and analytical methods for single-molecule conductance measurements31Phosphine-catalyzed Rauhut–Currier reaction of γ-alkyl allenoate and subsequent trapping using the Diels–Alder reaction8A Highly Enantioselective Homoenolate Michael Addition/Esterification Sequence of Cyclohexadienone-Tethered Enals via NHC Catalysis25Evolution of design approaches in asymmetric organocatalysis over the last decade5Navigating with chemometrics and machine learning in chemistry56Electrochemical Carbon-Ferrier Rearrangement Using a Microflow Reactor and Machine Learning-Assisted Exploration of Suitable Conditions18Asymmetric Organocatalyzed Intermolecular Functionalization of Cyclohexanone‐Derived Dienones12A Customized Bayesian Algorithm to Optimize Enzyme-Catalyzed Reactions42Electrocatalytic Reduction of (Hetero)Aryl Halides in a Proton‐Exchange Membrane Reactor and its Application for Deuteration8Green-light wavelength-selective organic solar cells for agrivoltaics: dependence of wavelength on photosynthetic rate11Mixer Design and Flow Rate as Critical Variables in Flow Chemistry Affecting the Outcome of a Chemical Reaction: A Review22In-Silico-Assisted Derivatization of Triarylboranes for the Catalytic Reductive Functionalization of Amino Acids with H21The green chemistry paradigm in modern organic synthesis84Bayesian optimization of glycopolymer structures for the interaction with cholera toxin B subunit6Elucidation of the kinetic stabilities of carbenoid species by integration of theoretical and experimental studies4Selective recognition between aromatics and aliphatics by cage-shaped borates supported by a machine learning approach0Synthesis of Deuterated Compounds by Flow Chemistry6Bayesian optimization assisted screening conditions for visible light-induced hydroxy-perfluoroalkylation5In-silico-assisted derivatization of triarylboranes for the catalytic reductive functionalization of aniline-derived amino acids and peptides with H223Development of Pd-immobilized porous polymer catalysts via Bayesian optimization1Self-Driving Laboratories for Chemistry and Materials Science674Synthetic Organic Electrolysis Using Catalysts0Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis17Recent advances in fluorine chemistry using flow technology15Recent advances in phosphine-mediated sequential annulations34Negative Knowledge Suppression in Autonomous Materials Engineering: Archival Governance Failures0Rhodium‐Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone‐Tethered (Z)‐α,β‐Unsaturated Amides4Cyanomethylation of Aldehydes on an Electrochemical Microflow System and Utility of Machine Learning‐Assisted Examination of the Reaction Conditions6Advances in Continuous‐Flow Synthesis of Nitrogen‐Containing Heterocycles Through Sequence Transformations in the Past Decade (2016–2025)4Photocatalytic Synthesis of 3,4-Dihydroquinolone from Tetrahydroquinolines by a High-Throughput Microfluidic System and Insights into the Role of Organic Bases1An introduction to modern reaction optimization in Python: how to develop and code a closed-loop reaction optimization system with Bayesian optimization, continuous-flow chemistry, and in-line analysis0Data-Driven Multiparameter Optimization for Efficient Screening of Reaction Conditions in Flow and Electrochemical Synthesis0Magnetoelectrocatalysis at the frontier: advanced quantum materials, mechanistic insights, and application landscapes1The sustainability of the Morita–Baylis–Hillman reaction1Machine-learning-driven exploration of Suzuki–Miyaura cross-coupling with a polymer-supported Pd in continuous-flow system1Informatics‐Driven and Automated Optimization in Flow Electrochemical Synthesis4Palladium-Catalyzed Diastereo- and Enantioselective Allenylation of Imines with Propargyl Nitriles via Cyano-Directed Activation Assisted by Machine-Learning-Guided Condition Screening0Cathodic Aziridination Using Dichloramine-T as a Nitrogen Source0Integrating Mechanistic Knowledge into Machine Learning Enables Improved Reaction Prediction in Low‐Data Regimes0Recent Advances in the Reaction of MBH Alcohols and Acetates: Scope and Mechanism (2016–2026)0

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