Debabrata Maiti
YOU?
Author Swipe
Valid Property-Enhanced Contrastive Learning for Targeted Optimization & Resampling for Novel Drug Design Open
Efficiently steering generative models toward pharmacologically relevant regions of chemical space remains a major obstacle in molecular drug discovery under low-data regimes. We present VECTOR+: Valid-property-Enhanced Contrastive Learnin…
C−H Activation Initiated Skeletal Recasting of Cyclopropane Carboxylic Acid Open
The selective activation and transformation of carbon–carbon (C–C) single bonds remains a formidable challenge in synthetic organic chemistry, particularly when involving unstrained frameworks. Herein, we report a modular and mechanistical…
Visible light-induced Pd-catalyzed cross-electrophile coupling of 2-(pseudo)haloazines Open
The 2,2′-bis-azaarenes and 2-heteroarylazines are intricately embedded into the medicinal chemistry, coordination chemistry, and materials. However, the synthesis of these heterobiaryls utilizing traditional cross-coupling methods remains …
Silicon-fluorine non-covalent interaction guided distal functionalization of di- and tri- fluoro alkyl benzene Open
Fluoroalkyl arenes are essential in pharmaceutical development, with groups like CF3, CF2H, CH2CF3, and cyclopropyl-CF3 significantly enhancing medicinal properties. However, current methodologies that rely on metal-catalyzed cross-couplin…
Harnessing C–H acetoxylation: a gateway to oxygen-enriched organic frameworks Open
An overview of C(sp 2 )–H and C(sp 3 )–H acetoxylation: from noble and base metal catalysis to cutting-edge electrochemical and photochemical strategies, unveiling sustainable pathways and mechanistic elegance.
Correction: Unified approaches in transition metal catalyzed C(sp<sup>3</sup>)–H functionalization: recent advances and mechanistic aspects Open
Correction for ‘Unified approaches in transition metal catalyzed C(sp 3 )–H functionalization: recent advances and mechanistic aspects’ by Jagrit Grover et al. , Chem. Soc. Rev. , 2025, 54 , 2006–2053, https://doi.org/10.1039/D0CS00488J.
Generating the Pd-catalyzed δ C–H chalcogenation of aliphatic picolinamides: systematically decreasing the bias Open
We report a palladium-catalyzed completely site-selective δ-C–H chalcogenation of aliphatic picolinamides, whereby both sterically biased and relatively unbiased substrates are made feasible for site-selective δ-C–H functionalization.
Correction: Unified approaches in transition metal catalyzed C(sp<sup>3</sup>)–H functionalization: recent advances and mechanistic aspects Open
Correction for ‘Unified approaches in transition metal catalyzed C(sp 3 )–H functionalization: recent advances and mechanistic aspects’ by Jagrit Grover et al. , Chem. Soc. Rev. , 2025, https://doi.org/10.1039/d0cs00488j.
Facile construction of distal and diversified tertiary and quaternary stereocenters Open
Exploration of novel chiral pharmaceutical candidates is motivation to immersive efforts among synthetic chemists. Achieving skeletal construction and chiral diversity in a highly efficient manner is a momentous goal in the chemical societ…
Metal-free Borylation of α-Naphthamides and Phenylacetic Acid Drug Open
Site-selective C-H borylation is an important strategy for constructing molecular diversity in arenes and heteroarenes. Although transition-metal-catalyzed borylation is well explored, developing metal-free strategies remains scarce. Herei…
Hydrogen bonding template enables remote meta-C–H alkenylation of nitroarenes with electron-deficient alkenes Open
Regioselective distal C-H functionalization of nitroarenes by overriding proximal C-H activation has remained an unsolved challenge. Herein, we present a palladium-catalyzed meta-C-H alkenylation of nitroarene substrate, achieved through l…
Deuteration and Tritiation of Pharmaceuticals by Non‐Directed Palladium‐Catalyzed C−H Activation in Heavy and Super‐Heavy Water Open
Deuterated and tritiated analogs of drugs are valuable compounds for pharmaceutical and medicinal chemistry. In this work, we present a novel hydrogen isotope exchange reaction of drugs using non‐directed homogeneous Pd‐catalysis. Aromatic…
Deuteration and Tritiation of Pharmaceuticals by Non‐Directed Palladium‐Catalyzed C−H Activation in Heavy and Super‐Heavy Water Open
Deuterated and tritiated analogs of drugs are valuable compounds for pharmaceutical and medicinal chemistry. In this work, we present a novel hydrogen isotope exchange reaction of drugs using non‐directed homogeneous Pd‐catalysis. Aromatic…
Synthesis of β-(Hetero)aryl Ketones via Ligand-Enabled Nondirected C−H Alkylation Open
β-Aryl ketones are present in various natural products and bioactive molecules. Till now, -aryl ketone has been synthesized through the directing group (DG) approach or Mizoroki-Heck coupling. Herein, we reported a palladium(II) catalyzed…
Hydrogen Bonding Template Enables Remote Meta-C–H Alkenylation of Nitroarenes Open
Regioselective distal C-H functionalization of nitroarenes by overriding proximal C-H activation has remained an unsolved challenge. Herein, we present a palladium-catalyzed meta-C-H alkenylation of nitroarene substrate, achieved through l…
CCDC 2209234: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2130315: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Deuteration and Tritiation of Pharmaceuticals by Non-Directed Pd Catalyzed C–H Activation in Heavy and Super-Heavy Water Open
Deuterated and tritiated analogs of drugs are valuable compounds for pharmaceutical and medicinal chemistry. In this work, we present a novel hydrogen isotope exchange reaction of drugs using non-directed homogeneous Pd catalysis. Aromatic…
Hydrogen Bonding Template Enables Remote meta-C-H Alkenylation of Nitroarenes Open
Regioselective distal C-H functionalization of nitroarenes by overriding proximal C-H activation has remained an unsolved challenge. Herein, we present a palladium-catalyzed meta-C-H alkenylation of nitroarene substrates, achieved through …
CCDC 2122626: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Three photon absorbing photocatalyst enabled defluorinative amination of fluoroarenes Open
We have developed a photocatalytic system that explores the latent potential of a new photocatalyst HATCN. The architecture of this flat molecule is well poised to pose it as a great photooxidant, that can also afford multiple redox states…
Energy-efficient CO2/CO interconversion by homogeneous copper-based molecular catalysts Open
Facile conversion of CO 2 to commercially viable carbon feedstocks offer a unique way to adopt a net-zero carbon scenario. Synthetic CO 2 -reducing catalysts have rarely exhibited energy-efficient and selective CO 2 conversion. Here, the c…
CCDC 2206135: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2211371: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2130309: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2159911: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2162411: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …