Issue December 2000
Volume 18No. 3 (p 325-492) December 2000 ISSN 0739-1102 Ab Initio Calculations on (-)-Calicheamicinone and Some of its Reactions Involved in its Activation and Interaction with DNA (p. 413-422)Ab initio calculations were performed on (-)-calicheamicinone, and on the product (Z or E) of the Michael addition via a reaction with methanethiol. It is found that the sulfur moiety position versus the rest of the molecule is quite flexible. The Michael adduct featuring the carbamate group E to the sulfur moiety is more stable than the Z isomer. The Bergman reaction of the diradical formation is strongly exothermic.
Robert Rothchild1 1City University of New York Subscription is more cost effective than purchasing PDFs on-the-fly. Click here for details. |
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