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Supramolecular Catalyzed Cascade Reduction of Azaarenes Interrogated via Data Science

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/jacs.4c11482· OSTI ID:2472958
Not Available
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
2472958
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 43 Vol. 146; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (31)

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Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12– Supramolecular Organometallic Cage journal September 2021
Computational Modeling of Supramolecular Metallo-organic Cages–Challenges and Opportunities journal May 2022
Extracting Knowledge from Data through Catalysis Informatics journal June 2018
The Evolution of Data-Driven Modeling in Organic Chemistry journal October 2021
The Big Squeeze:  Guest Exchange in an M 4 L 6 Supramolecular Host journal June 2005
Chemoselective and Site-Selective Reductions Catalyzed by a Supramolecular Host and a Pyridine–Borane Cofactor journal January 2021
Impact of Host Flexibility on Selectivity in a Supramolecular Host-Catalyzed Enantioselective aza-Darzens Reaction journal June 2022
Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (−)-Eurotiumin A journal October 2022
Using Data Science for Mechanistic Insights and Selectivity Predictions in a Non-Natural Biocatalytic Reaction journal August 2023
Chemoselective Heterogeneous Hydrogenation of Sulfur Containing Quinolines under Mild Conditions journal February 2024
Parametrization of Non-covalent Interactions for Transition State Interrogation Applied to Asymmetric Catalysis journal May 2017
Deconvoluting the Role of Charge in a Supramolecular Catalyst journal May 2018
A Nanovessel-Catalyzed Three-Component Aza-Darzens Reaction journal January 2020
A Medicinal Chemist’s Guide to Molecular Interactions journal July 2010
Acceleration of a Diels–Alder reaction by a self-assembled molecular capsule journal January 1997
Exploiting non-covalent π interactions for catalyst design journal March 2017
Terpene cyclization catalysed inside a self-assembled cavity journal February 2015
Mimicry of the proton wire mechanism of enzymes inside a supramolecular capsule enables β-selective O-glycosylations journal July 2022
Strategies for binding multiple guests in metal–organic cages journal March 2019
Machine learning in catalysis journal April 2018
Embracing data science in catalysis research journal April 2024
Electron density-based GPT for optimization and suggestion of host–guest binders journal March 2024
The effect of host structure on the selectivity and mechanism of supramolecular catalysis of Prins cyclizations journal January 2015
Diels-Alder in Aqueous Molecular Hosts: Unusual Regioselectivity and Efficient Catalysis journal April 2006
A data-intensive approach to mechanistic elucidation applied to chiral anion catalysis journal February 2015
A supramolecular microenvironment strategy for transition metal catalysis journal December 2015
Photochemical intermolecular dearomative cycloaddition of bicyclic azaarenes with alkenes journal March 2021

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