Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources

Synthetic and Mechanistic Implications of Chlorine Photoelimination in Nickel/Photoredox C(sp3)–H Cross-Coupling

(2021) Stavros K. Kariofillis et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electrochemically Enabled, Nickel-Catalyzed Dehydroxylative Cross-Coupling of Alcohols with Aryl Halides

(2021) Zijian Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Chemistry Informer Libraries: Conception, Early Experience, and Role in the Future of Cheminformatics

(2021) Spencer D. Dreher et al.   ACCOUNTS OF CHEMICAL RESEARCH

Predicting Reaction Yields via Supervised Learning

(2021) Andrzej M. Żurański et al.   ACCOUNTS OF CHEMICAL RESEARCH

N-Ammonium Ylide Mediators for Electrochemical C–H Oxidation

(2021) Masato Saito et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pd-Catalyzed ipso,meta-Dimethylation of ortho-Substituted Iodoarenes via a Base-Controlled C–H Activation Cascade with Dimethyl Carbonate as the Methyl Source

(2021) Zhuo Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photocatalytic Dehydroxymethylative Arylation by Synergistic Cerium and Nickel Catalysis

(2021) Yuegang Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Organic reactivity from mechanism to machine learning

(2021) Kjell Jorner et al.   Nature Reviews Chemistry

Metallaphotoredox-enabled deoxygenative arylation of alcohols

(2021) Zhe Dong et al.   NATURE

In-Situ Bromination Enables Formal Cross-Electrophile Coupling of Alcohols with Aryl and Alkenyl Halides

(2021) Benjamin K. Chi et al.   ACS Catalysis

Dehydrogenative Coupling of Benzylic and Aldehydic C–H Bonds

(2020) Tairin Kawasaki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C( sp 3 )−C( sp 3 ) Cross‐Coupling of Alkyl Bromides and Ethers Mediated by Metal and Visible Light Photoredox Catalysis

(2020) Marilia S. Santos et al.   ADVANCED SYNTHESIS & CATALYSIS

Nickel/Photoredox-Catalyzed Methylation of (Hetero)aryl Chlorides Using Trimethyl Orthoformate as a Methyl Radical Source

(2020) Stavros K. Kariofillis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Expanding the Medicinal Chemist Toolbox: Comparing Seven C(sp2)–C(sp3) Cross-Coupling Methods by Library Synthesis

(2020) Amanda W. Dombrowski et al.   ACS Medicinal Chemistry Letters

A Structure-Based Platform for Predicting Chemical Reactivity

(2020) Frederik Sandfort et al.   Chem

Molecular Representation: Going Long on Fingerprints

(2020) Lagnajit Pattanaik et al.   Chem

Photoinduced Specific Acylation of Phenolic Hydroxy Groups with Aldehydes

(2020) Tairin Kawasaki et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent Advances in Nickel‐Catalyzed C‐Heteroatom Cross‐Coupling Reactions under Mild Conditions via Facilitated Reductive Elimination

(2020) Chen Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dual Catalytic Strategy for Forging sp2–sp3 and sp3–sp3 Architectures via β-Scission of Aliphatic Alcohol Derivatives

(2020) Fei Cong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Laser Driven Flow Chemistry Platform for Scaling Photochemical Reactions with Visible Light

(2019) Kaid C. Harper et al.   ACS Central Science

Synthetic organic chemistry driven by artificial intelligence

(2019) A. Filipa de Almeida et al.   Nature Reviews Chemistry

Autonomous discovery in the chemical sciences part I: Progress

(2019) Klavs F. Jensen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Direct Cross-Coupling of Allylic C(sp3 )−H Bonds with Aryl- and Vinylbromides by Combined Nickel and Visible-Light Catalysis

(2018) Long Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nickel and Nucleophilic Cobalt-Catalyzed Trideuteriomethylation of Aryl Halides Using Trideuteriomethyl p-Toluenesulfonate

(2018) Kimihiro Komeyama et al.   ORGANIC LETTERS

Mapping the dark space of chemical reactions with extended nanomole synthesis and MALDI-TOF MS

(2018) Shishi Lin et al.   SCIENCE

Mordred: a molecular descriptor calculator

(2018) Hirotomo Moriwaki et al.   Journal of Cheminformatics

Methyl-containing pharmaceuticals: Methylation in drug design

(2018) Shaoyi Sun et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Direct arylation of strong aliphatic C–H bonds

(2018) Ian B. Perry et al.   NATURE

The Combination of Benzaldehyde and Nickel-Catalyzed Photoredox C(sp3 )−H Alkylation/Arylation

(2018) Lumin Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen Atom Transfer Reactions via Photoredox Catalyzed Chlorine Atom Generation

(2018) Samantha Rohe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent Advances in Alkyl Carbon-Carbon Bond Formation by Nickel/Photoredox Cross-Coupling

(2018) Gary Molander et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen Atom Transfer (HAT): A Versatile Strategy for Substrate Activation in Photocatalyzed Organic Synthesis

(2017) Luca Capaldo et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Approach to Comparing the Functional Group Tolerance of Reactions

(2017) Tobias Gensch et al.   JOURNAL OF ORGANIC CHEMISTRY

The merger of transition metal and photocatalysis

(2017) Jack Twilton et al.   Nature Reviews Chemistry

Nickel-Catalyzed Methylation of Aryl Halides with Deuterated Methyl Iodide

(2016) Lu Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Silyl Radical Activation of Alkyl Halides in Metallaphotoredox Catalysis: A Unique Pathway for Cross-Electrophile Coupling

(2016) Patricia Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photochemical Nickel-Catalyzed C–H Arylation: Synthetic Scope and Mechanistic Investigations

(2016) Drew R. Heitz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Alcohols as Latent Coupling Fragments for Metallaphotoredox Catalysis: sp3–sp2 Cross-Coupling of Oxalates with Aryl Halides

(2016) Xiaheng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct C(sp3)–H Cross Coupling Enabled by Catalytic Generation of Chlorine Radicals

(2016) Benjamin J. Shields et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The straight dope on the scope of chemical reactions

(2016) T. Gensch et al.   SCIENCE

Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods

(2016) Peter S. Kutchukian et al.   Chemical Science

1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis

(2016) Álvaro Gutiérrez-Bonet et al.   ACS Catalysis

Intermolecular Reaction Screening as a Tool for Reaction Evaluation

(2015) Karl D. Collins et al.   ACCOUNTS OF CHEMICAL RESEARCH

Silicates as Latent Alkyl Radical Precursors: Visible-Light Photocatalytic Oxidation of Hypervalent Bis-Catecholato Silicon Compounds

(2015) Vincent Corcé et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lost in chemical space? Maps to support organometallic catalysis

(2015) Natalie Fey   Chemistry Central Journal

Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening

(2014) N. Yi Mok et al.   Journal of Chemical Information and Modeling

Designer substrate library for quantitative, predictive modeling of reaction performance

(2014) E. N. Bess et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Single-electron transmetalation in organoboron cross-coupling by photoredox/nickel dual catalysis

(2014) J. C. Tellis et al.   SCIENCE

Merging photoredox with nickel catalysis: Coupling of  -carboxyl sp3-carbons with aryl halides

(2014) Z. Zuo et al.   SCIENCE

Profound Methyl Effects in Drug Discovery and a Call for New CH Methylation Reactions

(2013) Heike Schönherr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A robustness screen for the rapid assessment of chemical reactions

(2013) Karl D. Collins et al.   Nature Chemistry

The Methylation Effect in Medicinal Chemistry

(2011) Eliezer J. Barreiro et al.   CHEMICAL REVIEWS

Nickel-Catalyzed Selective Conversion of Two Different Aldehydes to Cross-Coupled Esters

(2011) Yoichi Hoshimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Estimation of Standard Reduction Potentials of Halogen Atoms and Alkyl Halides

(2010) Abdirisak A. Isse et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

(2009) Frank Lovering et al.   JOURNAL OF MEDICINAL CHEMISTRY