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Theoretical and Computational Chemistry

Working Paper

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions

Alain C. Vaucher, Philippe Schwaller, Joppe Geluykens, Vishnu H Nair, Anna Iuliano, Teodoro Laino

Version 1 posted 21 October 2020

752

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1

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Organic Chemistry

Working Paper

A Practical and General Approach to the Late-Stage Functionalization of Complex Sulfonamides

Patrick Fier, Kevin M. Maloney

Version 1 posted 07 January 2019

1,185

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Theoretical and Computational Chemistry

Working Paper

Quantitative Interpretation Explains Machine Learning Models for Chemical Reaction Prediction and Uncovers Bias

David Peter Kovacs, William McCorkindale, Alpha Lee

Version 1 posted 08 October 2020

519

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Theoretical and Computational Chemistry

Working Paper

Multitask Prediction of Site Selectivity in Aromatic C-H Functionalization Reactions

Thomas J. Struble, Connor W. Coley, Klavs F. Jensen

Version 1 posted 28 August 2019

1,184

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1

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Organic Chemistry

Working Paper

Synthesis of 1,2,5,6- and 1,4,5,8-Anthracenetetrone: Building Blocks for π-Conjugated Small Molecules and Polymers

Florian Glöcklhofer, Berthold Stöger, Johannes Fröhlich

Version 1 posted 03 May 2018

743

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Catalysis

Working Paper

Site-selective deuteration of amino acids through dual protein catalysis

Tyler Doyon, Andrew Buller

Version 1 posted 09 March 2022

387

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Theoretical and Computational Chemistry

Working Paper

‘Ring Breaker’: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space

Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, Ola Engkvist, Esben Jannik Bjerrum

Version 3 posted 21 April 2020

1,835

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Organic Chemistry

Working Paper

Tethered Silanoxyiodination of Alkenes

Ranjeet Dhokale, Frederick Seidl, Anand H. Shinde, Joel T Mague, Shyam Sathyamoorthi

Version 1 posted 02 April 2021

682

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Materials Chemistry

Working Paper

T1 T2* Relaxation Time Correlation NMR Monitoring of the Mechanochemical Formation of Quinoxaline Derivatives

Madeleine Leger, Jiangfeng Guo, Mason Lawrence, Bryce MacMillan, Bruce Balcom, Barry Blight

Version 1 posted 09 August 2024

84

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Organic Chemistry

Working Paper

Studies on a Type III Atropisomeric Colchicine Analog Enabled by an Intermolecular Oxidopyrylium (5 + 2) Cycloaddition/Reductive Ring-Opening Sequence

Lauren Bejcek, Orugbani Eli, Anastasiya Lyubibova, Diana Kapkayeva, Jordan Nafie, John Beutler, Emilio Gallicchio, Dan Sackett, Ryan Murelli

Version 1 posted 31 October 2023

338

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72 results in Organic Synthesis in Keywords: Organic Synthesis

Inferring Experimental Procedures from Text-Based Representations of Chemical Reactions

A Practical and General Approach to the Late-Stage Functionalization of Complex Sulfonamides

Quantitative Interpretation Explains Machine Learning Models for Chemical Reaction Prediction and Uncovers Bias

Multitask Prediction of Site Selectivity in Aromatic C-H Functionalization Reactions

Synthesis of 1,2,5,6- and 1,4,5,8-Anthracenetetrone: Building Blocks for π-Conjugated Small Molecules and Polymers

Site-selective deuteration of amino acids through dual protein catalysis

‘Ring Breaker’: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space

Tethered Silanoxyiodination of Alkenes

T1 T2* Relaxation Time Correlation NMR Monitoring of the Mechanochemical Formation of Quinoxaline Derivatives

Studies on a Type III Atropisomeric Colchicine Analog Enabled by an Intermolecular Oxidopyrylium (5 + 2) Cycloaddition/Reductive Ring-Opening Sequence

72 results in Keywords: Organic Synthesis