CAMEO: Understanding Organic Reactivity to Allow the Logical Prediction of Reaction Products

目前正在开发一种交互式计算机程序CAMEO，用于预测给定起始材料和条件下有机反应的产物。该程序使用机械原理和基于先例的规则对广泛的反应类别进行预测。因此，该项目的一个重要方面是寻找控制有机反应性的组织原则，以及开发有助于分析和设计合成途径的资源。该计划目前的能力是显著的复杂的处理几个重要类别的反应，包括碱催化和亲核过程，热周环化学，酸催化和亲电反应，自由基链反应，官能团氧化。其目的是在许多方面扩展和完善该计划。最重要的补充将是过渡金属有机金属化学，光化学，催化氢化，溶解金属还原，以及三维结构的生成和利用。该程序还计划通过苹果麦金塔II电脑的版本进行更广泛的传播。合成有机化学计划支持继续开发基于计算机的程序CAMEO，以预测合成试剂及其反应产物的反应性。这有可能大大提高用于满足我国经济日益复杂的要求的综合程序的效率。

An interactive computer program, CAMEO, is being developed to predict the products of organic reactions given the starting materials and conditions. The program uses mechanistic principles and precedent-based rules for broad classes of reactions to make its predictions. Consequently, an important aspect of the project is the search for organizing principles that govern organic reactivity in addition to the development of a resource to aid in the analysis and design of synthetic pathways. The program's current capabilities are significant with sophisticated treatment of several important classes of reactions including base catalyzed and nucleophilic processes, thermal pericyclic chemistry, acid catalyzed and electrophilic reactions, free radical chain reactions, and functional group oxidations. The intentions are to expand and refine the program in many ways. The most important additions will be for transition metal organometallic chemistry, photochemistry, catalytic hydrogenations, dissolving metal reductions, and three-dimensional structure generation and utilization. Broader distribution of the program is also planned through a version for the Apple Macintosh II computer. The Synthetic Organic Chemistry Program is supporting the continuation of the development of this computer based program CAMEO to predict reactivities of synthetic reagents and their reaction products. This has the potential to greatly improve the efficiency of the synthetic procedures used to meet the increasingly complex requirements of our economy.