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

CAMEO：了解有机反应性以对反应产物进行逻辑预测

• 批准号: 9108287
• 负责人: William Jorgensen
• 金额: $ 31.5万
• 依托单位: Yale University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-07-01 至 1995-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9108287&HistoricalAwards=false
• 关键词: CAMEO; Understanding; Organic; Reactivity; Allow

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.

目前正在开发一个名为CAMEO的交互式计算机程序， 预测有机反应的产物， 材料和条件。 该计划使用机械 原则和基于先例的规则， 反应来做出预测。 因此，重要的 该项目的一个方面是寻找组织原则 控制着有机反应性， 一个资源，以帮助分析和设计合成 途径。 该计划目前的能力是显著的 通过对几类重要的 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、自由基链式反应和官能团 氧化 其目的是扩大和完善 程序以多种方式。 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，和 三维结构的生成和利用。 还计划通过一个 Apple Macintosh II计算机的版本。 合成有机化学计划正在支持 继续发展这一计算机为基础的程序 CAMEO预测合成试剂的反应性及其应用 反应产物。 这有可能大大改善 用于满足要求的合成程序的效率 我们的经济需求越来越复杂。