-
3
-
-
77649087999
-
-
Grondal, C.; Jeanty, M.; Enders, D. Nat. Chem. 2010, 2, 167 10.1038/nchem.539
-
(2010)
Nat. Chem.
, vol.2
, pp. 167
-
-
Grondal, C.1
Jeanty, M.2
Enders, D.3
-
4
-
-
52149113820
-
-
MacMillan, D. W. C. Nature 2008, 455, 304 10.1038/nature07367
-
(2008)
Nature
, vol.455
, pp. 304
-
-
MacMillan, D.W.C.1
-
5
-
-
38349178582
-
-
Erkkilä, A.; Majander, I.; Pihko, P. M. Chem. Rev. 2007, 107, 5416 10.1021/cr068388p
-
(2007)
Chem. Rev.
, vol.107
, pp. 5416
-
-
Erkkilä, A.1
Majander, I.2
Pihko, P.M.3
-
6
-
-
38349100690
-
-
Mukherjee, S.; Yang, J. W.; Hoffmann, S.; List, B. Chem. Rev. 2007, 107, 5471 10.1021/cr0684016
-
(2007)
Chem. Rev.
, vol.107
, pp. 5471
-
-
Mukherjee, S.1
Yang, J.W.2
Hoffmann, S.3
List, B.4
-
7
-
-
6044269452
-
-
Dalko, P. I.; Moisan, L. Angew. Chem., Int. Ed. 2004, 43, 5138 10.1002/anie.200400650
-
(2004)
Angew. Chem., Int. Ed.
, vol.43
, pp. 5138
-
-
Dalko, P.I.1
Moisan, L.2
-
8
-
-
84923079453
-
-
Milo, A.; Neel, A. J.; Toste, F. D.; Sigman, M. S. Science 2015, 347, 737 10.1126/science.1261043
-
(2015)
Science
, vol.347
, pp. 737
-
-
Milo, A.1
Neel, A.J.2
Toste, F.D.3
Sigman, M.S.4
-
11
-
-
70349956417
-
-
Brown, J. M.; Deeth, R. J. Angew. Chem., Int. Ed. 2009, 48, 4476 10.1002/anie.200900697
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 4476
-
-
Brown, J.M.1
Deeth, R.J.2
-
13
-
-
80051719285
-
-
Cheong, P. H-Y.; Legault, C. Y.; Um, J. M.; Çelebi-Ölçüm, N.; Houk, K. N. Chem. Rev. 2011, 111, 5042 10.1021/cr100212h
-
(2011)
Chem. Rev.
, vol.111
, pp. 5042
-
-
Cheong, P.H.-Y.1
Legault, C.Y.2
Um, J.M.3
Çelebi-Ölçüm, N.4
Houk, K.N.5
-
15
-
-
84924297482
-
-
Overvoorde, L. M.; Grayson, M. N.; Luo, Y.; Goodman, J. M. J. Org. Chem. 2015, 80, 2634 10.1021/jo5028134
-
(2015)
J. Org. Chem.
, vol.80
, pp. 2634
-
-
Overvoorde, L.M.1
Grayson, M.N.2
Luo, Y.3
Goodman, J.M.4
-
17
-
-
84880100870
-
-
Lee, R.; Zhong, F.; Zheng, B.; Meng, Y.; Lu, Y.; Huang, K.-W. Org. Biomol. Chem. 2013, 11, 4818 10.1039/c3ob40144h
-
(2013)
Org. Biomol. Chem.
, vol.11
, pp. 4818
-
-
Lee, R.1
Zhong, F.2
Zheng, B.3
Meng, Y.4
Lu, Y.5
Huang, K.-W.6
-
22
-
-
84922780754
-
-
Odagi, M.; Furukori, K.; Yamamoto, Y.; Sato, M.; Iida, K.; Yamanaka, M.; Nagasawa, K. J. Am. Chem. Soc. 2015, 137, 1909 10.1021/ja511149y
-
(2015)
J. Am. Chem. Soc.
, vol.137
, pp. 1909
-
-
Odagi, M.1
Furukori, K.2
Yamamoto, Y.3
Sato, M.4
Iida, K.5
Yamanaka, M.6
Nagasawa, K.7
-
23
-
-
38849126854
-
-
Fleming, E. M.; Quigley, C.; Rozas, I.; Connon, S. J. J. Org. Chem. 2008, 73, 948 10.1021/jo702154m
-
(2008)
J. Org. Chem.
, vol.73
, pp. 948
-
-
Fleming, E.M.1
Quigley, C.2
Rozas, I.3
Connon, S.J.4
-
24
-
-
31944446866
-
-
Mitsumori, S.; Zhang, H.; Cheong, P. H-Y.; Houk, K. N.; Tanaka, F.; Barbas, C. F., III. J. Am. Chem. Soc. 2006, 128, 1040 10.1021/ja056984f
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 1040
-
-
Mitsumori, S.1
Zhang, H.2
Cheong, P.H.-Y.3
Houk, K.N.4
Tanaka, F.5
Barbas, C.F.6
-
26
-
-
84881049479
-
-
Corne, V.; Botta, M. C.; Giordano, E. D. V.; Giri, G. F.; Llompart, D. F.; Biava, H. D.; Sarotti, A. M.; Mangione, M. I.; Mata, E. G.; Suárez, A. G.; Spanevello, R. A. Pure Appl. Chem. 2013, 85, 1683 10.1351/PAC-CON-12-11-10
-
(2013)
Pure Appl. Chem.
, vol.85
, pp. 1683
-
-
Corne, V.1
Botta, M.C.2
Giordano, E.D.V.3
Giri, G.F.4
Llompart, D.F.5
Biava, H.D.6
Sarotti, A.M.7
Mangione, M.I.8
Mata, E.G.9
Suárez, A.G.10
Spanevello, R.A.11
-
27
-
-
84864557510
-
-
Sarotti, A. M.; Zanardi, M. M.; Spanevello, R. A.; Suárez, A. G. Curr. Org. Synth. 2012, 9, 439
-
(2012)
Curr. Org. Synth.
, vol.9
, pp. 439
-
-
Sarotti, A.M.1
Zanardi, M.M.2
Spanevello, R.A.3
Suárez, A.G.4
-
28
-
-
34848820645
-
-
Sarotti, A. M.; Spanevello, R. A.; Suárez, A. G. Green Chem. 2007, 9, 1137 10.1039/b703690f
-
(2007)
Green Chem.
, vol.9
, pp. 1137
-
-
Sarotti, A.M.1
Spanevello, R.A.2
Suárez, A.G.3
-
29
-
-
84862074936
-
-
Sarotti, A. M.; Spanevello, R. A.; Suárez, A. G.; Echeverría, G. A.; Piro, O. E. Org. Lett. 2012, 14, 2556 10.1021/ol3008588
-
(2012)
Org. Lett.
, vol.14
, pp. 2556
-
-
Sarotti, A.M.1
Spanevello, R.A.2
Suárez, A.G.3
Echeverría, G.A.4
Piro, O.E.5
-
30
-
-
0034600250
-
-
Ahrendt, K. A.; Borths, C. J.; MacMillan, D. W. C. J. Am. Chem. Soc. 2000, 122, 4243 10.1021/ja000092s
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 4243
-
-
Ahrendt, K.A.1
Borths, C.J.2
MacMillan, D.W.C.3
-
31
-
-
33746125825
-
-
Kano, T.; Tanaka, Y.; Maruoka, K. Org. Lett. 2006, 8, 2687 10.1021/ol060621i
-
(2006)
Org. Lett.
, vol.8
, pp. 2687
-
-
Kano, T.1
Tanaka, Y.2
Maruoka, K.3
-
33
-
-
33845701141
-
-
Bonini, B. F.; Capitò, E.; Comes-Franchini, M.; Fochi, M.; Ricci, A.; Zwanenburg, B. Tetrahedron: Asymmetry 2006, 17, 3135 10.1016/j.tetasy.2006.11.028
-
(2006)
Tetrahedron: Asymmetry
, vol.17
, pp. 3135
-
-
Bonini, B.F.1
Capitò, E.2
Comes-Franchini, M.3
Fochi, M.4
Ricci, A.5
Zwanenburg, B.6
-
34
-
-
53249140774
-
-
Hayashi, Y.; Samanta, S.; Gotoh, H.; Ishikawa, H. Angew. Chem., Int. Ed. 2008, 47, 6634 10.1002/anie.200801408
-
(2008)
Angew. Chem., Int. Ed.
, vol.47
, pp. 6634
-
-
Hayashi, Y.1
Samanta, S.2
Gotoh, H.3
Ishikawa, H.4
-
35
-
-
48849100725
-
-
He, H.; Pei, B.-J.; Chou, H.-H.; Tian, T.; Chan, W.-H.; Lee, A. W. M. Org. Lett. 2008, 10, 2421 10.1021/ol8005826
-
(2008)
Org. Lett.
, vol.10
, pp. 2421
-
-
He, H.1
Pei, B.-J.2
Chou, H.-H.3
Tian, T.4
Chan, W.-H.5
Lee, A.W.M.6
-
37
-
-
0038661201
-
-
Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev. 2003, 103, 1793 10.1021/cr990029p
-
(2003)
Chem. Rev.
, vol.103
, pp. 1793
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
38
-
-
0040942563
-
-
Parr, R. G.; von Szentpaly, L.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922 10.1021/ja983494x
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 1922
-
-
Parr, R.G.1
Von Szentpaly, L.2
Liu, S.3
-
39
-
-
0037181996
-
-
Domingo, L. R.; Aurell, M. J.; Perez, P.; Contreras, R. Tetrahedron 2002, 58, 4417 10.1016/S0040-4020(02)00410-6
-
(2002)
Tetrahedron
, vol.58
, pp. 4417
-
-
Domingo, L.R.1
Aurell, M.J.2
Perez, P.3
Contreras, R.4
-
42
-
-
59649089543
-
-
Brazier, J. B.; Evans, G.; Gibbs, T. J. K.; Coles, S. J.; Hursthouse, M. B.; Platts, J. A.; Tomkinson, N. C. O. Org. Lett. 2009, 11, 133 10.1021/ol802512y
-
(2009)
Org. Lett.
, vol.11
, pp. 133
-
-
Brazier, J.B.1
Evans, G.2
Gibbs, T.J.K.3
Coles, S.J.4
Hursthouse, M.B.5
Platts, J.A.6
Tomkinson, N.C.O.7
-
43
-
-
0033515394
-
-
Dapprich, S.; Komaromi, I.; Byun, K. S.; Morokuma, K.; Frisch, M. J. J. Mol. Struct.: THEOCHEM 1999, 461, 1 10.1016/S0166-1280(98)00475-8
-
(1999)
J. Mol. Struct.: THEOCHEM
, vol.461
, pp. 1
-
-
Dapprich, S.1
Komaromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
-
45
-
-
84856716075
-
-
Grayson, M. N.; Pellegrinet, S. C.; Goodman, J. M. J. Am. Chem. Soc. 2012, 134, 2716 10.1021/ja210200d
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 2716
-
-
Grayson, M.N.1
Pellegrinet, S.C.2
Goodman, J.M.3
-
47
-
-
33645537390
-
-
Zhang, X.; Du, H.; Wang, Z.; Wu, Y. D.; Ding, K. J. Org. Chem. 2006, 71, 2862 10.1021/jo060129c
-
(2006)
J. Org. Chem.
, vol.71
, pp. 2862
-
-
Zhang, X.1
Du, H.2
Wang, Z.3
Wu, Y.D.4
Ding, K.5
-
48
-
-
17244362411
-
-
Ananikov, V. P.; Szilagyi, R.; Morokuma, K.; Musaev, D. G. Organometallics 2005, 24, 1938 10.1021/om049156o
-
(2005)
Organometallics
, vol.24
, pp. 1938
-
-
Ananikov, V.P.1
Szilagyi, R.2
Morokuma, K.3
Musaev, D.G.4
-
49
-
-
14944377703
-
-
Balcells, D.; Maseras, F.; Ujaque, G. J. Am. Chem. Soc. 2005, 127, 3624 10.1021/ja0435384
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 3624
-
-
Balcells, D.1
Maseras, F.2
Ujaque, G.3
-
51
-
-
84938766513
-
-
In general, little difference is found in the reactions between 6 or 9 with cyclopentadiene under the same reaction conditions (for example, see ref 8).
-
In general, little difference is found in the reactions between 6 or 9 with cyclopentadiene under the same reaction conditions (for example, see ref 8).
-
-
-
-
52
-
-
84938819491
-
-
To reduce the computational cost of the present study, we chose to study only the exo channels of addition for two main reasons: (i) in our system, the exo adducts are the major isolated compounds; (ii) as a general trend (and as was experimentally found in this work), a good organocatalyst affords high levels of enantioselection for both endo and exo adducts (for other examples, see ref 8).
-
To reduce the computational cost of the present study, we chose to study only the exo channels of addition for two main reasons: (i) in our system, the exo adducts are the major isolated compounds; (ii) as a general trend (and as was experimentally found in this work), a good organocatalyst affords high levels of enantioselection for both endo and exo adducts (for other examples, see ref 8).
-
-
-
-
53
-
-
84908249055
-
-
Parmar, D.; Sugiono, E.; Raja, S.; Rueping, M. Chem. Rev. 2014, 114, 9047 10.1021/cr5001496
-
(2014)
Chem. Rev.
, vol.114
, pp. 9047
-
-
Parmar, D.1
Sugiono, E.2
Raja, S.3
Rueping, M.4
-
54
-
-
19544393388
-
-
Vakulya, B.; Varga, S.; Csámpai, A.; Soos, T. Org. Lett. 2005, 7, 1967 10.1021/ol050431s
-
(2005)
Org. Lett.
, vol.7
, pp. 1967
-
-
Vakulya, B.1
Varga, S.2
Csámpai, A.3
Soos, T.4
-
55
-
-
29844457732
-
-
Franzén, J.; Marigo, M.; Fielenbach, D.; Wabnitz, T. C.; Kjærsgaard, A.; Jørgensen, K. A. J. Am. Chem. Soc. 2005, 127, 18296 10.1021/ja056120u
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 18296
-
-
Franzén, J.1
Marigo, M.2
Fielenbach, D.3
Wabnitz, T.C.4
Kjærsgaard, A.5
Jørgensen, K.A.6
-
56
-
-
0142072631
-
-
Okino, T.; Hoashi, Y.; Takemoto, Y. J. Am. Chem. Soc. 2003, 125, 12672 10.1021/ja036972z
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 12672
-
-
Okino, T.1
Hoashi, Y.2
Takemoto, Y.3
-
57
-
-
84887964693
-
-
Puglisi, A.; Benaglia, M.; Annunziata, R.; Chiroli, V.; Porta, R.; Gervasini, A. J. Org. Chem. 2013, 78, 11326 10.1021/jo401852v
-
(2013)
J. Org. Chem.
, vol.78
, pp. 11326
-
-
Puglisi, A.1
Benaglia, M.2
Annunziata, R.3
Chiroli, V.4
Porta, R.5
Gervasini, A.6
-
58
-
-
77950345205
-
-
Hagiwara, H.; Kuroda, T.; Hoshi, T.; Suzuki, T. Adv. Synth. Catal. 2010, 352, 909 10.1002/adsc.200900865
-
(2010)
Adv. Synth. Catal.
, vol.352
, pp. 909
-
-
Hagiwara, H.1
Kuroda, T.2
Hoshi, T.3
Suzuki, T.4
-
59
-
-
47749137879
-
-
Gruttadauria, M.; Giacalone, F.; Noto, R. Chem. Soc. Rev. 2008, 37, 1666 10.1039/b800704g
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 1666
-
-
Gruttadauria, M.1
Giacalone, F.2
Noto, R.3
-
61
-
-
0141619399
-
-
Benaglia, M.; Puglisi, A.; Cozzi, F. Chem. Rev. 2003, 103, 3401 10.1021/cr010440o
-
(2003)
Chem. Rev.
, vol.103
, pp. 3401
-
-
Benaglia, M.1
Puglisi, A.2
Cozzi, F.3
-
62
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785 10.1103/PhysRevB.37.785
-
(1988)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
65
-
-
79952130294
-
-
Gaussian, Inc. Wallingford, CT.
-
Frisch, M. J., Gaussian 09, Revision B.01, Gaussian, Inc.: Wallingford, CT, 2009.
-
(2009)
Gaussian 09, Revision B.01
-
-
Frisch, M.J.1
-
66
-
-
84938765220
-
-
NBO Version 3.1: For some original literature references, see.
-
NBO Version 3.1: Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. For some original literature references, see:.
-
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
67
-
-
36148995600
-
-
Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735 10.1063/1.449486
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
68
-
-
0011083499
-
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899 10.1021/cr00088a005
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
71
-
-
84872085429
-
-
Domingo, L. R.; Pérez, P.; Sáez, J. A. RSC Adv. 2013, 3, 1486 10.1039/C2RA22886F
-
(2013)
RSC Adv.
, vol.3
, pp. 1486
-
-
Domingo, L.R.1
Pérez, P.2
Sáez, J.A.3
-
73
-
-
84938809799
-
-
Hyperchem Professional Release 7.52, Hypercube, Inc.
-
Hyperchem Professional Release 7.52, Hypercube, Inc., 2005.
-
(2005)
-
-
-
74
-
-
84961980477
-
-
For a review on continuum solvation models, see
-
For a review on continuum solvation models, see: Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999-3093 10.1021/cr9904009
-
(2005)
Chem. Rev.
, vol.105
, pp. 2999-3093
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
75
-
-
34249702886
-
-
Cabrera, S.; Gómez Arrayás, R.; Martín-Matute, B.; Cossío, F.; Carretero, J. C. Tetrahedron 2007, 63, 6587 10.1016/j.tet.2007.03.130
-
(2007)
Tetrahedron
, vol.63
, pp. 6587
-
-
Cabrera, S.1
Gómez Arrayás, R.2
Martín-Matute, B.3
Cossío, F.4
Carretero, J.C.5
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