-
1
-
-
79952164798
-
-
Vol.;, Ed.; Elsevier: Oxford: U.K.
-
Katritzky, A. R.; Ramsden, C. A.; Scriven, E. F. V.; Taylor, R. J. K. Comprehensive Heterocyclic Chemistry III; Five-membered Rings with Two Heteroatoms, Each with Their Fused Carbocyclic Derivatives, Vol. 4; Joule, J., Ed.; Elsevier: Oxford: U.K., 2008.
-
(2008)
Comprehensive Heterocyclic Chemistry III; Five-membered Rings with Two Heteroatoms, Each with Their Fused Carbocyclic Derivatives
, vol.4
-
-
Katritzky, A.R.1
Ramsden, C.A.2
Scriven, E.F.V.3
Taylor, R.J.K.4
Joule, J.5
-
2
-
-
0036809725
-
-
Dupont, J.; de Souza, R.; Suarez, P. Chem. Rev. 2002, 102, 3667
-
(2002)
Chem. Rev.
, vol.102
, pp. 3667
-
-
Dupont, J.1
De Souza, R.2
Suarez, P.3
-
3
-
-
0035560668
-
-
Higasio, Y. S.; Shoji, T. Appl. Catal., A 2001, 221, 197
-
(2001)
Appl. Catal., A
, vol.221
, pp. 197
-
-
Higasio, Y.S.1
Shoji, T.2
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5
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34249671130
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general, pi is not susceptible to nucleophilic attack and the position C-2 of iz is usually electrophilic. See ref 1a and
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In general, pi is not susceptible to nucleophilic attack and the position C-2 of iz is usually electrophilic. See ref 1a and Guadarrama-Morales, O.; Méndez, F.; Miranda, L. D. Tetrahedron Lett. 2007, 48, 4515
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(2007)
Tetrahedron Lett.
, vol.48
, pp. 4515
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-
Guadarrama-Morales, O.1
Méndez, F.2
Miranda, L.D.3
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8
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-
0000080818
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-
Chattaraj, P. K.; Lee, H.; Parr, R. G. J. Am. Chem. Soc. 1991, 113, 1855
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 1855
-
-
Chattaraj, P.K.1
Lee, H.2
Parr, R.G.3
-
14
-
-
0002086637
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Mendez, F.; Galván, M.; Garritz, A.; Vela, A.; Gázquez, J. L. THEOCHEM 1992, 211, 81
-
(1992)
THEOCHEM
, vol.211
, pp. 81
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-
Mendez, F.1
Galván, M.2
Garritz, A.3
Vela, A.4
Gázquez, J.L.5
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16
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-
67650708885
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-
Gregus, Z.; Roos, G.; Geerlings, P.; Nemeti, B. Toxicol. Sci. 2009, 110, 282
-
(2009)
Toxicol. Sci.
, vol.110
, pp. 282
-
-
Gregus, Z.1
Roos, G.2
Geerlings, P.3
Nemeti, B.4
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17
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-
70349664012
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Ramírez, R.; García-Martínez, C.; Méndez, F. J. Phys. Chem. A 2009, 113, 10753
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 10753
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-
Ramírez, R.1
García-Martínez, C.2
Méndez, F.3
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19
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0038661201
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Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev. 2003, 103, 1793
-
(2003)
Chem. Rev.
, vol.103
, pp. 1793
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
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20
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0038626673
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revision C.02; Gaussian, Inc.: Wallingford, CT,. Full reference for Gaussian 03 program is provided in the Supporting Information.
-
Frisch, M. J. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004. Full reference for Gaussian 03 program is provided in the Supporting Information.
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(2004)
Gaussian 03
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Frisch, M.J.1
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25
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0006442277
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Gázquez, J. L.; Martínez, A.; Méndez, F. J. Phys. Chem. 1993, 97, 4059
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 4059
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-
Gázquez, J.L.1
Martínez, A.2
Méndez, F.3
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26
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27744530363
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The iz, pi, py, and benzene NICS values were taken from
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The iz, pi, py, and benzene NICS values were taken from Chen, Z.; Wannere, Ch. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P.; von, R. Chem. Rev. 2005, 105, 3842
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(2005)
Chem. Rev.
, vol.105
, pp. 3842
-
-
Chen, Z.1
Wannere, Ch.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer, P.5
Von, R.6
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27
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79952137422
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The iz ring has very high solubility in water and is less soluble in nonpolar solvents.
-
The iz ring has very high solubility in water and is less soluble in nonpolar solvents.
-
-
-
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29
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-
79952180307
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-
Red colors correspond to positive values.
-
Red colors correspond to positive values.
-
-
-
-
30
-
-
0036301896
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Clentsmith, G. K. B; Gibson, V. C.; Hitchcock, P. B.; Kimberly, B. S; Rees, C. W. Chem. Commun. 2002, 1498
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(2002)
Chem. Commun.
, pp. 1498
-
-
Clentsmith, G.K.B.1
Gibson, V.C.2
Hitchcock, P.B.3
Kimberly, B.S.4
Rees, C.W.5
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32
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-
33845375966
-
-
k values were calculated using the Mulliken population analysis and a finite-difference approximation (Tables S7-S9 in the Supporting Information). For definition of condensed Fukui functions, see
-
k values were calculated using the Mulliken population analysis and a finite-difference approximation (Tables S7-S9 in the Supporting Information). For definition of condensed Fukui functions, see: Yang, W.; Mortier, W. J. J. Am. Chem. Soc. 1986, 108, 5708
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(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5708
-
-
Yang, W.1
Mortier, W.J.2
-
33
-
-
79952121561
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-
+ (13.60 eV); see ref 4d.
-
+ (13.60 eV); see ref 4d.
-
-
-
-
35
-
-
85056021601
-
-
2 values indicate that the condensed values obtained from the Mulliken population analysis and the finite-difference approximation are reliable for the analysis.
-
2 values indicate that the condensed values obtained from the Mulliken population analysis and the finite-difference approximation are reliable for the analysis.
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