Predicting Reaction Yields via Supervised Learning
Andrzej, Jesus, and Ben's review paper on predicting reaction yields through machine learning was recently published in Acc. Chem. Res. Congratulations!
Automation and Computer-Assisted Planning for Chemical Synthesis
Julia's review paper on the interface of chemical synthesis and data science was recently published in Nature Reviews Method Primers. Congratulations!
Bayesian Reaction Optimization as a Tool for Chemical Synthesis
Ben, Marvin, and Jesus' work on Bayesian reaction optimization was recently published in Nature. Congratulations!
Synthetic and Mechanistic Implications of Chlorine Photoelimination in Nickel/Photoredox C(sp3)–H Cross-Coupling
Stavros’ review paper on chlorine photoelimination in Ni/photoredox C(sp3)–H cross-coupling was recently published in Acc. Chem. Res. Congratulations!
Nucleophilic (Radio)Fluorination of Redox-Active Esters via Radical-Polar Crossover Enabled by Photoredox Catalysis
Nucleophilic (Radio)Fluorination of Redox-Active Esters via Radical-Polar Crossover Enabled by Photoredox Catalysis. Eric and John’s work in collaboration with BMS on a redox-neutral method for nucleophilic fluorination of phthalimide esters was just published in JACS (check it out here)! Congrats on completing an exciting project!
Regioselective Cross-Electrophile Coupling of Epoxides and (Hetero)aryl Iodides via Ni/Ti/Photoredox Catalysis
Marvin’s work on developing a novel methodology for cross-coupling epoxides and aryl iodides using Ni/Ti/Photoredox catalysis was just published in ACS Catalysis! The mild cross-electrophile approach tolerates three distinct classes of epoxides and a broad scope of aryl iodides. Check it out here!
Role of Electron-Deficient Olefin Ligands in a Ni-Catalyzed Aziridine Cross-Coupling To Generate Quaternary Carbons
Jesús, Wendy, and Stephen’s work on elucidating the mechanism of Ni-catalyzed Negishi Couplings of Aziridines, and the associated ligand effects of electron deficient olefin ligand, Fro-DO, was just published in JACS! Congrats on the completion of an exciting project!
Nickel/Photoredox-Catalyzed Methylation of (Hetero)aryl Chlorides Using Trimethyl Orthoformate as a Methyl Radical Source
Stavros, Ben, and Makeda’s work, in collaboration with Mike Zacuto at Celgene, to “photo-eliminate a gap in the methylation methodology” has recently been published in JACS! Congrats to the team and great work!
Synthesis of β-Phenethylamines via Ni/Photoredox Cross-Electrophile Coupling of Aliphatic Aziridines and Aryl Iodides
Talia, Junyi, and Mani’s work on developing a new Ni/Photoredox methodology to synthesize pharmaceutically relevant β-Phenethylamines was recently accepted and published in JACS! Great work!
Triplet d-d Excited States of Ni(II) Complexes Relevant to Photoredox Catalysis
Congrats to Stephen on recently publishing a study on how Ni(II) intermediates proposed in photocatalytic cycles can interact with light and lead to Ni-C bond homolysis. This spectroscopic and organometallic mechanistic work in collaboration with the Scholes and Castellano labs is now available to read in JACS! Congrats all!
