Výsledky vyhledávání - "William T. Darrow"

Cobalt-Catalyzed Kumada Coupling Forming Sterically Encumbered C–C Bonds

Autor: William T. Darrow, Clare A. Leahy, Alison R. Fout, Jack A. Killion, Marshall Brennan

Publikováno v: Organometallics. 41:1769-1776

A Co(acac)3/PN precatalyst was developed and optimized for catalytic Kumada coupling of aryl Grignard reagents to sterically encumbered alkyl halides. The substrate scope demonstrates excellent yie...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ed44191f647591a31d707642fb08416e
https://doi.org/10.1021/acs.organomet.1c00513

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Computational methods for training set selection and error assessment applied to catalyst design: guidelines for deciding which reactions to run first and which to run next

Autor: Jeremy J. Henle, Scott E. Denmark, Brennan T. Rose, Andrew F. Zahrt, William T. Darrow

Publikováno v: Reaction Chemistry & Engineering. 6:694-708

The application of machine learning (ML) to problems in homogeneous catalysis has emerged as a promising avenue for catalyst optimization. An important aspect of such optimization campaigns is determining which reactions to run at the outset of exper

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::60275d7b428c4ebe4381d150a16532a0
https://doi.org/10.1039/d1re00013f

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Development of a Computer-Guided Workflow for Catalyst Optimization. Descriptor Validation, Subset Selection, and Training Set Analysis

Autor: Brennan T. Rose, William T. Darrow, Yang Wang, Jeremy J. Henle, Andrew F. Zahrt, Scott E. Denmark

Publikováno v: Journal of the American Chemical Society. 142:11578-11592

Modern, enantioselective catalyst development is driven largely by empiricism. Although this approach has fostered the introduction of most of the existing synthetic methods, it is inherently limited by the skill, creativity, and chemical intuition o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b00c64adf51b0101222faf5ef17e6ec
https://doi.org/10.1021/jacs.0c04715

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Dihydrogen and Dinitrogen Complexes of Cobalt and Nickel

Autor: Daniel Najera, Clare A. Leahy, Noah A. Bender, Kelly L. Gullett, Tabitha J. Miller, Joseph W. Nugent, Ericka L. Bruske, Alison R. Fout, Safiyah R. Muhammad, William T. Darrow

Publikováno v: Comprehensive Coordination Chemistry III ISBN: 9780081026892
Comprehensive Coordination Chemistry III

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2fe6cb046b2abf599b099d22170f891f
https://doi.org/10.1016/b978-0-08-102688-5.00094-5

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An alternative synthesis of benziporphyrins starting from isophthaloyl chloride

Autor: Timothy D. Lash, William T. Darrow

Publikováno v: Journal of Porphyrins and Phthalocyanines. 21:532-538

An alternative route to benziporphyrins has been developed. Reaction of an [Formula: see text]-unsubstituted pyrrole ethyl ester with isophthaloyl chloride in the presence of aluminum chloride afforded a diketone that underwent selective reduction wi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::03edc75b8ab4068698813abac6ae5810
https://doi.org/10.1142/s1088424617500493

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Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning

Autor: Jeremy J. Henle, William T. Darrow, Yang Wang, Brennan T. Rose, Scott E. Denmark, Andrew F. Zahrt

Publikováno v: Science. 363

INTRODUCTION The development of new synthetic methods in organic chemistry is traditionally accomplished through empirical optimization. Catalyst design, wherein experimentalists attempt to qualitatively identify correlations between catalyst structu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1570958231a0c6c2384838b20029c3fd
https://doi.org/10.1126/science.aau5631

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