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33847567338
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note
-
The authors have deposited atomic coordinates for the structure of 2a with the Cambridge Crystallographic Data Centre. The coordinates can be obtained, on request, from the director, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, U.K.
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52
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0001285069
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Several comparative studies have suggested semiempirical methods as a good choice for studying cycloaddition processes involving chiral substrates. See: (a) Sbai, A.; Branchadell, V.; Ortuno, R. M.; Oliva, A. J. Org. Chem. 1997, 62, 3049-3054.
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33847550420
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-
Semiempirical geometry optimizations for all systems were carried out at the AMI and PM3 levels of theory as implemented in WINMOPAC 2.0. Fujitsu Limited. 1998. For simplicity, the W-benzyl group of the nitrone 2a was replaced with a methyl group.
-
Semiempirical geometry optimizations for all systems were carried out at the AMI and PM3 levels of theory as implemented in WINMOPAC 2.0. Fujitsu Limited. 1998. For simplicity, the W-benzyl group of the nitrone 2a was replaced with a methyl group.
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60
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0004133516
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Gaussian, Inc., Pittsburgh, PA, 1998.
-
Ab initio single point energy calculations were performed using Gaussian 98, Revision A.3: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.;. Montgomery Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian, Inc., Pittsburgh, PA, 1998.
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Gaussian 98, Revision A.3
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
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61
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33847536722
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note
-
After tedious Chromatographie separations enriched mixtures of diastereomers could be obtained in order to identify selected signals from the NMR spectra (see the Experimental Section). Nevertheless, subsequent reduction-cyclization to diastereomeric pyrrolidin-2-ones afforded separable mixtures of isomers.
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62
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33847539173
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-
See the Supporting Information for the detailed discussion.
-
See the Supporting Information for the detailed discussion.
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63
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