mech-USPTO-31k reaction dataset

Name: mech-USPTO-31k reaction dataset
Creator: Chen, Shuan; Babazade, Ramil
Published: 2024-02-27T00:00:00+08:00

Figshare2024-02-27 更新2026-04-08 收录

反应机理

化工专利分析

数据链接：

https://figshare.com/articles/dataset/mech-USPTO-31k_reaction_dataset/24797220/2 数据链接链接失效反馈

官方服务：

资源简介：

Reaction mehchanisms of 31,364 reactions extracted from US patents (USPTO) reaction dataset generated by MechFinder.

提供机构：

Chen, Shuan; Babazade, Ramil

创建时间：

2024-02-27

Carbocupration of heterosubstituted alkynes

反应机理

计算化学

Complete Inputs and outputs for the computations described in: Silva PJ (2022) The reaction mechanism of the Cu(I) catalyzed alkylation of hetero-substituted alkynes. submitted

DataCite Commons2023-06-21 更新100

Reaction of Germylene with Sulfur Dioxide: Gas-Phase Kinetic and Theoretical Studies

气相动力学

反应机理

Time-resolved studies of germylene, GeH2, generated by laser flash photolysis of 3,4-dimethyl-1-germacyclopent-3-ene at 193 nm, have been carried out to obtain rate constants for its bimolecular react

NIAID Data Ecosystem30

Base-Promoted Synthesis of S‑Arylisothiazolones via Intramolecular Dehydrative Cyclization of α‑Keto‑N‑acylsulfoximines

有机合成方法

反应机理

A base (Et3N)-promoted synthesis of 1,4-diarylisothiazolones from α-keto-N-acylsulfoximines has been achieved. The reaction proceeds via α-hydrogen abstraction from sulfoximine, followed by an intramo

Figshare2023-12-14 更新30

Relative Reactivity of the Metal−Amido versus Metal−Imido Bond in Linked Cp-Amido and Half-Sandwich Complexes of Vanadium

有机金属化学

反应机理

Treatment of (η5-C5H4C2H4NR)V(N-t-Bu)Me (R = Me, i-Pr) and CpV(N-p-Tol)(N-i-Pr2)Me (Cp = η5-C5H5) with B(C6F5)3 or [Ph3C][B(C6F5)4] results in formation of the corresponding cations, [(η5-C5H4C2H4NR)V

NIAID Data Ecosystem40

Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO 2 Reduction: Key Roles for Intramolecular Interactions in CO 2 Binding and Proton Transfer

电催化CO2还原

反应机理

A solar-driven conversion of CO2 into fuels by artificial photosynthesis would not only mitigate the greenhouse effect but also provide an alternative to obtain fuels in a renewable fashion. To this e

NIAID Data Ecosystem30

mech-USPTO-31k reaction dataset

资源简介：

相关数据集