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Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning

Angewandte Chemie International Edition, 2020-08, Vol.59 (32), p.13253-13259

International ed. in English, 2020

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Copper‐Catalyzed Enantioselective Markovnikov Protoboration of α‐Olefins Enabled by a Buttressed N‐Heterocyclic Carbene Ligand

Angewandte Chemie International Edition, 2018-01, Vol.57 (5), p.1376-1380

International ed. in English, 2018

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Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions

Journal of the American Chemical Society, 2018-12, Vol.140 (48), p.16402-16407

2018

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Divergent rhodium-catalyzed electrochemical vinylic C-H annulation of acrylamides with alkynes

Nature communications, 2021-02, Vol.12 (1), p.930-930, Article 930

2021

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Towards Data‐Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning

Angewandte Chemie International Edition, 2021-10, Vol.60 (42), p.22804-22811

International ed. in English, 2021

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Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis

Chemistry : a European journal, 2023-01, Vol.29 (6), p.e202202834-n/a

2023

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An Asynchronous Concerted Mechanism and Its Origin in Lewis Acid‐Mediated Carbonyl‐Olefin [2+2] Cycloaddition

Chemistry, an Asian journal, 2023-07, Vol.18 (14), p.e202300375-n/a

2023

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Catalytic and Photochemical Strategies to Stabilized Radicals Based on Anomeric Nucleophiles

Journal of the American Chemical Society, 2020-06, Vol.142 (25), p.11102-11113

2020

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Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B–H Activation

Journal of the American Chemical Society, 2018-10, Vol.140 (42), p.13798-13807

2018

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Nucleophile-Dependent Z/E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C–H Alkylation of 1,4-Dienes

Journal of the American Chemical Society, 2019-04, Vol.141 (14), p.5824-5834

2019

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Pd(ii)-catalyzed alkoxylation of unactivated C(sp3)–H and C(sp2)–H bonds using a removable directing group: efficient synthesis of alkyl ethers

Chemical science (Cambridge), 2013-01, Vol.4 (11), p.4187

2013

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Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis

Nature communications, 2016-09, Vol.7 (1), p.12901-12901, Article 12901

2016

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Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

Nature communications, 2023-06, Vol.14 (1), p.3569-3569, Article 3569

2023

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Exploring Spectrum‐based Molecular Descriptors for Reaction Performance Prediction

Chemistry, an Asian journal, 2023-04, Vol.18 (7), p.e202300011-n/a

2023

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Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study

Journal of the American Chemical Society, 2019-08, Vol.141 (32), p.12770-12779

2019

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Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C-N axial chirality via cobalt catalysis

Nature communications, 2023-05, Vol.14 (1), p.3149-3149, Article 3149

2023

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Understanding the Structure‐Activity Relationship of Ni‐Catalyzed Amide C−N Bond Activation using Distortion/Interaction Analysis

ChemCatChem, 2021-08, Vol.13 (15), p.3536-3542

2021

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Machine Learning Prediction of Structure‐Performance Relationship in Organic Synthesis

Chinese journal of chemistry, 2022-09, Vol.40 (17), p.2106-2117

2022

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Metformin improves defective hematopoiesis and delays tumor formation in Fanconi anemia mice

Blood, 2016-12, Vol.128 (24), p.2774-2784

2016

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Mechanism and Selectivity Control in Ni- and Pd-Catalyzed Cross-Couplings Involving Carbon–Oxygen Bond Activation

Accounts of chemical research, 2021-05, Vol.54 (9), p.2158-2171

2021

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Engineered Cytochrome c-Catalyzed Lactone-Carbene B–H Insertion

Synlett, 2019-03, Vol.30 (4), p.378-382

2019

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Mechanisms and Origins of Chemo- and Regioselectivities of Ru(II)-Catalyzed Decarboxylative C–H Alkenylation of Aryl Carboxylic Acids with Alkynes: A Computational Study

Journal of the American Chemical Society, 2017-05, Vol.139 (21), p.7224-7243

2017

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Computational studies on Ni-catalyzed amide C-N bond activation

Chemical communications (Cambridge, England), 2019-09, Vol.55 (76), p.1133-11341

2019

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Catalytic asymmetric synthesis of chiral trisubstituted heteroaromatic allenes from 1,3-enynes

Communications chemistry, 2018-10, Vol.1 (1), Article 64

2018

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Palladium(0)-catalyzed cyclopropanation of benzyl bromides via C(sp3)-H bond activation

Chemical communications (Cambridge, England), 2014-01, Vol.50 (28), p.3692-3694

2014

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Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning

Copper‐Catalyzed Enantioselective Markovnikov Protoboration of α‐Olefins Enabled by a Buttressed N‐Heterocyclic Carbene Ligand

Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions

Divergent rhodium-catalyzed electrochemical vinylic C-H annulation of acrylamides with alkynes

Towards Data‐Driven Design of Asymmetric Hydrogenation of Olefins: Database and Hierarchical Learning

Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis

An Asynchronous Concerted Mechanism and Its Origin in Lewis Acid‐Mediated Carbonyl‐Olefin [2+2] Cycloaddition

Catalytic and Photochemical Strategies to Stabilized Radicals Based on Anomeric Nucleophiles

Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B–H Activation

Nucleophile-Dependent Z/E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C–H Alkylation of 1,4-Dienes

Pd(ii)-catalyzed alkoxylation of unactivated C(sp3)–H and C(sp2)–H bonds using a removable directing group: efficient synthesis of alkyl ethers

Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis

Reaction performance prediction with an extrapolative and interpretable graph model based on chemical knowledge

Exploring Spectrum‐based Molecular Descriptors for Reaction Performance Prediction

Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study

Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C-N axial chirality via cobalt catalysis

Understanding the Structure‐Activity Relationship of Ni‐Catalyzed Amide C−N Bond Activation using Distortion/Interaction Analysis

Machine Learning Prediction of Structure‐Performance Relationship in Organic Synthesis

Metformin improves defective hematopoiesis and delays tumor formation in Fanconi anemia mice

Mechanism and Selectivity Control in Ni- and Pd-Catalyzed Cross-Couplings Involving Carbon–Oxygen Bond Activation

Engineered Cytochrome c-Catalyzed Lactone-Carbene B–H Insertion

Mechanisms and Origins of Chemo- and Regioselectivities of Ru(II)-Catalyzed Decarboxylative C–H Alkenylation of Aryl Carboxylic Acids with Alkynes: A Computational Study

Computational studies on Ni-catalyzed amide C-N bond activation

Catalytic asymmetric synthesis of chiral trisubstituted heteroaromatic allenes from 1,3-enynes

Palladium(0)-catalyzed cyclopropanation of benzyl bromides via C(sp3)-H bond activation

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