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Attempts to synthesize quinuclidin-2-ene derivatives directly from 3-ethynylquinuclidin-2-ene and an ortho-halogenated phenol were unsuccessful.
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Kursanov, D.N.1
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37
-
-
10144259151
-
-
note
-
The corresponding reaction with 25 produced a mixture of products with 28 present only in small amounts according to TLC.
-
-
-
-
38
-
-
10144223358
-
-
note
-
The quinuclidin-3-ol derivatives were not tested since they were expected to show significantly lower affinity than the corresponding quinuclidin-2-ene congeners; compare ref 7.
-
-
-
-
39
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0019980052
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-
-
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51
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10144243130
-
-
note
-
The SPARTAN-calculated hardness is one-half of the difference between the HOMO and LUMO energies.
-
-
-
-
52
-
-
10144238336
-
-
note
-
The ovality is calculated by SPARTAN in the following way: ovality = surface area/4π(3*mol vol/4π)**2/3, where π = 3.141 5926.
-
-
-
-
53
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-
0002194587
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Kowalski, B. R., Ed.; Reidel: Dordrecht
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Johansson, E.8
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Sjöström, M.10
-
54
-
-
10144259811
-
-
note
-
SIMCA-S computes the influence on Y of every X in the model, called VIP (variable importance in the projection). The variables with the highest VIP score have the highest influence on the model.
-
-
-
-
55
-
-
10144248781
-
-
See, for example, ref 8a
-
See, for example, ref 8a.
-
-
-
-
56
-
-
10144225418
-
-
note
-
This indicates the π value for the substituent in the 5-position of the benzofuran ring. Similarly, a suffix of -7 indicates the 7-position.
-
-
-
-
57
-
-
85099488302
-
-
note
-
2 - 0.13*π-5*L-7.
-
-
-
-
58
-
-
85099487968
-
-
note
-
1,(cortex) = 9.76 + 0.54433*π-5 - 0.13082*MR-5 + 0.26787*σ(meta)-5 + 0.11137*σ(para)-5 - 0.16527*L-5 - 0.13734*B1-5 - 0.62835*B5-5.
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-
-
-
59
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4143081998
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Structure and Barrier of internal Rotation of Biphenyl Derivatives in the Gaseous State
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85099488179
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2 as noted previously; see, e.g., ref 28b.
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61
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0029151813
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