2025年2月18日 · Both electroanalytical studies and DFT calculations suggest the involvement of a Pd (II)/Pd (IV) catalytic cycle via a crucial Pd (III) intermediate that initiates both the distal and atroposelective olefination reactions. As a service to our authors and readers, this journal provides supporting information supplied by the authors.

2023年2月11日 · 研究成果以“基于过渡态知识的机器学习实现钯电催化氧化碳氢键活化反应的对映选择性预测（Enantioselectivity prediction of pallada-electrocatalyzed C–H activation using transition state knowledge in machine...

2024年7月11日 · In this context, we designed a data-driven approach to optimize palladaelectro-catalyzed C–H annulation reactions, which utilized an orthogonal experimental design to ensure diverse sampling and effective exploration of the synthetic space.

电合成已成为现代有机化学中日益流行的平台，具有独特的特征和反应参数，如施加电流/电位、电极、电解质系统和电池设计。 虽然这些独特的功能为化学家提供了更多控制反应性和选择性 …

Here we present a data-driven workflow to achieve a holistic enantioselectivity prediction of asymmetric pallada-electrocatalysed C–H activation by implementing transition state knowledge in...

2022年2月10日 · We herein achieved atropoenantioselective pallada-electrocatalyzed C–H olefinations and C–H allylations with high efficacy and enantioselectivity under exceedingly mild reaction conditions. With (S)-5-oxoproline as the chiral ligand, activated and non-activated olefins were suitable substrates for the electro-C–H activations.

2017年4月18日 · Goddess Athena was greatly revered by the ancient Greeks. One of her many epithets, Pallada (or Pallas), was owed to the peculiarity of her birth. According to legend, she sprang forth from the forehead of her father Zeus, fully armed and shaking her spear fiercely, making a fearsome sound.

Here we present a data-driven workflow to achieve a holistic enantioselectivity prediction of asymmetric pallada-electrocatalysed C–H activation by implementing transition state knowledge in machine learning.

2020年8月3日 · Asymmetric pallada-electrocatalyzed C-H olefinations were achieved through the synergistic cooperation with transient directing groups. The electrochemical, atroposelective C-H activations were realized with high position-, diastereo-, and enantio-control under mild reaction conditions to obtain hig …

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