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62
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34948834682
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note
-
6): δ=108.69 (d), 108.41 (d), 77.64 (t), 65.16 (d), 57.66 (q), 49.24 (t), 45.78 (t), 45.07 (s), 41.44 (t), 39.02 (d), 33.19 (d), 31.24 (t), 15.41 (q) ppm.
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63
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34948815587
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note
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35
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66
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0037154818
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Ohno H., Miyamura K., Tanaka T., Oishi S., Toda A., Takemoto Y., Fujii N., and Ibuka T. J. Org. Chem. 67 (2002) 1359
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Ohno, H.1
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Oishi, S.4
Toda, A.5
Takemoto, Y.6
Fujii, N.7
Ibuka, T.8
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67
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34948868302
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note
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The ratio of isomers 33a-d, and by implication 31a-d, formed at particular times varied in different experiments, though the trends observed were consistent. This is similar to what we have observed for the isomerisation of cis-8-biscyclopentadienylzirconabicyclo[4.3.0]nonane to the trans isomer where the time/temperature needed to obtain the reported >97% trans isomer varies greatly between similar preparations, and suggests catalysis by an unknown and variable component.
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70
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34948838357
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note
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The iminoacyl species resulting from tert-BuNC insertion into 5a was unexpectedly resistant to acid hydrolysis and the corresponding aldehyde product was therefore not obtained. However, NMR analysis of the (iminoacyl) zirconacycle indicated regioselective insertion into the α-substituted C-Zr bond.
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73
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0001414996
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Kong J., White C.A., Krylov A.I., Sherrill D., Adam-son R.D., Furlani T.R., Lee M.S., Lee A.M., Gwalt-ney S.R., Adams T.R., Ochsenfeld C., Gilbert A.T.B., Kedziora G.S., Rassolov V.A., Maurice D.R., Nair N., Shao Y.H., Besley N.A., Maslen P.E., Dombroski J.P., Daschel H., Zhang W.M., Korambath P.P., Baker J., Byrd E.F.C., Van Voorhis T., Oumi M., Hirata S., Hsu C.P., Ishikawa N., Florian J., Warshel A., Johnson B.G., Gill P.M.W., Head-Gordon M., and Pople J.A. J. Comput. Chem. 21 (2000) 1532
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Ochsenfeld, C.11
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Johnson, B.G.33
Gill, P.M.W.34
Head-Gordon, M.35
Pople, J.A.36
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