期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 21, 期 47, 页码 16781-16785出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201503595
关键词
azetidinone; density functional calculations; hexahydride; osmium; beta-lactam fragmentation
资金
- Spanish MINECO [CTQ2013-46459-C2-01-P, CTQ2014-52799-P, CTQ2014-54071-P, CTQ2014-51912-REDC]
- FEDER [CTQ2013-46459-C2-01-P, CTQ2014-52799-P, CTQ2014-54071-P, CTQ2014-51912-REDC]
- DGA [E35]
- European Social Fund (FSE)
The mechanism of OsH6(PiPr(3))(2)-mediated fragmentation of a 4-(2 pyridyl)-2-azetidinone has been investigated by DFT calculations. The addition of the C4-H bond of the substrate to OsH2(PiPr(3))(2) allows the active participation of an osmium lone pair in the B-type beta-lactam fragmentation process. This new mechanism makes the N1-C4/C2-C3 fragmentation of the lactamic core thermally accessible through a stepwise process.
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