DFT Study allyboration of indanone

NIAID Data Ecosystem2026-05-02 收录

计算化学催化模拟

有机合成机理

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These data correspond to the Gaussian 16 output files obtained during the DFT study of the allyboration of indanone catalyzed by BINOL derivatives.

创建时间：

2024-07-22

Dynamic Covalent Metathesis in the CC/CN Exchange between Knoevenagel Compounds and Imines

动态共价化学

有机合成机理

Fast and reversible dynamic covalent CC/CN exchange takes place without catalyst in nonpolar solvents between barbiturate-derived Knoevenagel (Kn) compounds and imines. A detailed study of the react

NIAID Data Ecosystem110

Origins of Selectivity in Brønsted Acid-Promoted Diazoalkane−Azomethine Reactions (The Aza-Darzens Aziridine Synthesis)

有机合成机理

氮丙啶合成

The mechanism of the Brønsted acid-catalyzed aza-Darzens reaction is explored by charting the stereochemical outcome of the triflic acid-promoted conversion of trans-triazolines to cis-aziridines. The

NIAID Data Ecosystem60

One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration

有机合成机理

杂环化合物合成

PdCl2/CuCl2/NH4OAc-mediated the domino aerobic Wacker-type aminocyclization of α-allyl-β-ketosulfones 4 in cosolvents THF and MeOH afforded 2-(sulfonylmethyl)arylpyrroles 5 via 1,4-sulfonyl migration

Figshare2016-02-16 更新30

Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids

有机合成机理

Lewis酸碱理论

Lewis acid catalyzed rearrangements of highly strained [2 + 2] photoadducts 1a−d of diphenylhomobenzoquinone with various acetylenes were investigated under the influence of AlCl3, SnCl4, BF3, and TiC

NIAID Data Ecosystem70

Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope

催化自由基反应

有机合成机理

Tetradentate amine–bis(phenolate)iron(III) halide complexes containing chloro substituents on the aromatic ring are extremely efficient catalysts for controlled radical polymerization. Molecular we

Figshare2016-02-18 更新40

DFT Study allyboration of indanone

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