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Although the coupling constants between H-3 and H-4 for trans-isomers are generally larger than for cis-isomers, the difference is small, so that a reliable configurational assignment must be performed using NOE experiments, when only one isomer is available
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48
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84986437005
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51
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5144226275
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-
note
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This change was required owing to the lack of parameters for the Si atom
-
-
-
-
52
-
-
5144231728
-
-
note
-
2) = -50.7°
-
-
-
-
53
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-
5144233126
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AM1 within Hyperchem 5.0-Chemplus 5.2 releases, Hypercube, Gainesville, FL, USA
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AM1 within Hyperchem 5.0-Chemplus 5.2 releases, Hypercube, Gainesville, FL, USA
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54
-
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5144222965
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note
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HOMO = -8.09239 eV; F r HOMO = 8.85 × 10 - 2
-
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56
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5144234789
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note
-
It is worth mentioning however that by raising the temperature or with longer reaction times the selection is lost and also the lactam 9 undergoes reduction
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