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NOVEL GRAPH-THEORETICAL APPROACH TO RING-TRANSFORMATION REACTIONS - HIERARCHICAL-CLASSIFICATION AND COMPUTER DESIGN OF HETEROCYCLIC REARRANGEMENTSстатья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 27 ноября 2018 г.
- Авторы: BABAEV E.V., LUSHNIKOV D.E., ZEFIROV N.S.
- Журнал: Journal of the American Chemical Society
- Том: 115
- Номер: 6
- Год издания: 1993
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 2416
- Последняя страница: 2427
- DOI: 10.1021/ja00059a042
- Аннотация: A novel graph-theoretical approach based on the notion of ring-bond-redistribution graphs (RBR graphs) is suggested as a formal basis for the classification of a great number of ring transformations in heterocycles. The vertices and edges of RBR graphs exclusively correspond to those atoms and skeleton bonds which are present in both the final and initial heterocyclic rings. The simple bicyclic structure of these graphs permits us to suggest an original and effective hierarchic classification for simple heterocyclic rearrangements. Structurally similar reactions of the same level have the same RBR graphs and differ only by their labeling. This approach was realized as a computer program for the systematization of heterocyclic recyclizations. Selected predictions of previously unknown types, classes, and sorts of these reactions are briefly discussed.
- Добавил в систему: Зефиров Николай Серафимович
Прикрепленные файлы
| № | Имя | Описание | Имя файла | Размер | Добавлен |
|---|---|---|---|---|---|
| 1. | Полный текст | 020e.pdf | 1,9 МБ | 26 ноября 2018 [babaev] |