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

有机合成计划继续支持这项研究 威廉·L博士化学系的乔根森在 耶鲁大学 他的研究关注的是 正在开发的交互式计算机程序CAMEO 预测有机反应的产物， 材料和条件。 该计划使用机械 原则的广泛类别的反应，使其 预测。 目的是让CAMEO模仿逻辑 合成有机化学家的过程， 可能 因此，该项目的一个重要方面是 来确定逻辑，并将其转换为基本的 有机反应的组织原则 开发一种工具来帮助设计有机合成。 已实施的反应类别包括（1） 碱催化过程，有机金属反应，叶立德 化学和有机硅化学，（2）亲电 涉及碳正离子作为中间体的方法，包括 亲电芳香取代，和（3）周环 反应，即，环加成、电环化过程和 σ迁移重排 杂环化合物的改进处理 化学计划以及新的模块， 以及卡宾、氮烯和自由基的反应。 官能团的标准氧化和还原将 也可以沿着功能来改善反馈， 用户.

The Synthetic Organic Program continues to support the research of Dr. William L. Jorgensen of the Department of Chemistry at Yale University. His research is concerned with the interactive computer program, CAMEO, which is being developed to predict the products of organic reactions given starting materials and conditions. The program uses mechanistic principles for broad classes of reactions to make its predictions. The intent is for CAMEO to mimic the logical processes of a synthetic organic chemist as closely as possible. Consequently, an important aspect of the project is to identify the logic and cast it in terms of fundamental organizing principles governing organic reactions in addition to developing a tool to aid in the design of organic syntheses. The classes of reactions that have been implemented cover (1) base catalyzed processes, organometallic reactions, ylide chemistry and organosilicon chemistry, (2) electrophilic processes involving carbonium ions as intermediates including electrophilic aromatic substitution, and (3) pericyclic reactions, i.e., cycloadditions, electrocyclic processes and sigmatropic rearrangements. Improved treatment of heterocyclic chemistry is planned as well as new modules for the creation and reactions of carbenes, nitrenes, and free radicals. Standard oxidations and reductions of functional groups will also be implemented along with features to improve feedback to the user.