Tetrazine–trans-Cyclooctene Kinetic Dataset

This dataset contains experimental second-order rate constants (k₂, M⁻¹ s⁻¹) for inverse-electron-demand Diels–Alder reactions between tetrazines (Tz) and trans-cyclooctenes (TCO). Data are provided as a CSV file including: Tetrazine and trans-cyclooctene identifiers SMILES strings for both reactants SMILES of the initial Diels–Alder intermediate SMILES of the final product Solvent (acetonitrile, ACN, or PBS buffer, pH 7.4) Temperature (°C) Second-order rate constants k₂ (M⁻¹ s⁻¹) Kinetic measurements were obtained using stopped-flow spectrophotometry. An associated research article describing the experimental methodology and analysis in detail will be published separately.本数据集收录了四嗪（tetrazine, Tz）与反式环辛烯（trans-cyclooctene, TCO）之间的逆电子需求狄尔斯-阿尔德（inverse-electron-demand Diels–Alder）反应的二级速率常数（k₂, M⁻¹ s⁻¹）实验数据。 数据以CSV文件形式提供，包含以下内容： 四嗪与反式环辛烯的标识信息 两种反应物的简化分子线性输入规范（SMILES）字符串 狄尔斯-阿尔德初始中间体的SMILES字符串 最终产物的SMILES字符串 反应溶剂（乙腈（acetonitrile, ACN）或pH 7.4的磷酸盐缓冲液（PBS）） 反应温度（单位：℃） 二级速率常数k₂（单位：M⁻¹ s⁻¹） 动力学测量采用停流分光光度法（stopped-flow spectrophotometry）完成。 另有一篇详细阐述实验方法与数据分析过程的相关研究论文将另行发表。