Publications by authors named "Raghavan B Sunoj"

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Molecular Machine Learning Approach to Enantioselective C-H Bond Activation Reactions: From Generative AI to Experimental Validation.
Ajnabiul Hoque, Taiwei Chang, Jin-Quan Yu, Raghavan B Sunoj

Chem Sci· July 2025

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Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.
Soumen Paira, Nupur Jain, Debarsee Adhikari, Raghavan B Sunoj, Basker Sundararaju

Chem Sci· July 2025

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Mechanistic Insights into Rh-Catalyzed Regio- and Enantioselective Hydroformylation of Cyclopropyl-Functionalized Trisubstituted Alkenes.
Aiswarya Purushothaman, Shuailong Li, Shilpa Shilpa, Shao-Tao Bai, Raghavan B Sunoj

J Org Chem· July 2025

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Reinforcement Learning for Improving Chemical Reaction Performance.
Ajnabiul Hoque, Mihir Surve, Shivaram Kalyanakrishnan, Raghavan B Sunoj

J Am Chem Soc· October 2024

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Chemo-, regio- and enantioselective hydroformylation of trisubstituted cyclopropenes: access to chiral quaternary cyclopropanes.
Shuailong Li, Dequan Zhang, Aiswarya Purushothaman, Hui Lv, Shilpa Shilpa, Raghavan B Sunoj

Nat Commun· July 2024

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Advances in machine learning with chemical language models in molecular property and reaction outcome predictions.
Manajit Das, Ankit Ghosh, Raghavan B Sunoj

J Comput Chem· May 2024

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Combinatorial Ligand Assisted Simultaneous Control of Axial and Central Chirality in Highly Stereoselective C-H Allylation.
Trisha Bhattacharya, Supratim Ghosh, Subhabrata Dutta, Srimanta Guin, Animesh Ghosh, Raghavan B Sunoj

Angew Chem Int Ed Engl· January 2024

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Recent Applications of Machine Learning in Molecular Property and Chemical Reaction Outcome Predictions.
Shilpa Shilpa, Gargee Kashyap, Raghavan B Sunoj

J Phys Chem A· October 2023

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Role of Noncovalent Interactions in Inducing High Enantioselectivity in an Alcohol Reductive Deoxygenation Reaction Involving a Planar Carbocationic Intermediate.
Supratim Ghosh, Avtar Changotra, David A Petrone, Mayuko Isomura, Erick M Carreira, Raghavan B Sunoj

J Am Chem Soc· February 2023

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Molecular Machine Learning for Chemical Catalysis: Prospects and Challenges.
Sukriti Singh, Raghavan B Sunoj

Acc Chem Res· February 2023

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An iron(ii)-based metalloradical system for intramolecular amination of C(sp)-H and C(sp)-H bonds: synthetic applications and mechanistic studies.
Sandip Kumar Das, Subrata Das, Supratim Ghosh, Satyajit Roy, Monika Pareek, Raghavan B Sunoj

Chem Sci· October 2022

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Iridium-Catalyzed Ligand-Controlled Remote para-Selective C-H Activation and Borylation of Twisted Aromatic Amides.
Md Emdadul Hoque, Ranjana Bisht, Anju Unnikrishnan, Sayan Dey, Mirja Md Mahamudul Hassan, Raghavan B Sunoj

Angew Chem Int Ed Engl· July 2022

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A transfer learning approach for reaction discovery in small data situations using generative model.
Sukriti Singh, Raghavan B Sunoj

iScience· July 2022

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Ir-Catalyzed Ligand-Free Directed C-H Borylation of Arenes and Pharmaceuticals: Detailed Mechanistic Understanding.
Mirja Md Mahamudul Hassan, Biplab Mondal, Sukriti Singh, Chabush Haldar, Jagriti Chaturvedi, Raghavan B Sunoj

J Org Chem· March 2022

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Machine learning studies on asymmetric relay Heck reaction-Potential avenues for reaction development.
Manajit Das, Pooja Sharma, Raghavan B Sunoj

J Chem Phys· March 2022

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Molecular Insights on Solvent Effects in Organic Reactions as Obtained through Computational Chemistry Tools.
Manajit Das, Achyut Ranjan Gogoi, Raghavan B Sunoj

J Org Chem· February 2022

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Molecular insights into chirality transfer from double axially chiral phosphoric acid in a synergistic enantioselective intramolecular amination.
Soumi Tribedi, Raghavan B Sunoj

Chem Sci· February 2022

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Iridium-Catalyzed Regioselective Borylation through C-H Activation and the Origin of Ligand-Dependent Regioselectivity Switching.
Anju Unnikrishnan, Raghavan B Sunoj

J Org Chem· November 2021

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On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactions.
Soumi Tribedi, Kazuo Kitaura, Takahito Nakajima, Raghavan B Sunoj

Phys Chem Chem Phys· September 2021

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Tale of the Breslow intermediate, a central player in N-heterocyclic carbene organocatalysis: then and now.
Monika Pareek, Yernaidu Reddi, Raghavan B Sunoj

Chem Sci· May 2021

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Mechanistic insights into rhodium-catalyzed enantioselective allylic alkylation for quaternary stereogenic centers.
Monika Pareek, Raghavan B Sunoj

Chem Sci· December 2020

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Unraveling the Importance of Noncovalent Interactions in Asymmetric Hydroformylation Reactions.
Yuvraj Dangat, Sahil Popli, Raghavan B Sunoj

J Am Chem Soc· October 2020

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Palladium-Catalyzed -C-H Allylation of Arenes: A Unique Combination of a Pyrimidine-Based Template and Hexafluoroisopropanol.
Sukdev Bag, Surya K, Arup Mondal, Ramasamy Jayarajan, Uttam Dutta, Raghavan B Sunoj

J Am Chem Soc· July 2020

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Pd-Catalyzed γ-C(sp)-H Fluorination of Free Amines.
Yan-Qiao Chen, Sukriti Singh, Yongwei Wu, Zhen Wang, Wei Hao, Raghavan B Sunoj

J Am Chem Soc· June 2020

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Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis.
Avtar Changotra, Bangaru Bhaskararao, Christopher M Hadad, Raghavan B Sunoj

J Am Chem Soc· May 2020

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