Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways
Michael De Rosa; David Arnold; Douglas Hartline; Journal of Organic Chemistry 78 (2013) 8614–8623; doi:10.1021/jo4012915

data_4028545
_publ_section_title
;
 Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines:
 Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via
 Uncatalyzed and Acid-Catalyzed Pathways
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8614
_journal_page_last               8623
_journal_paper_doi               10.1021/jo4012915
_journal_volume                  78
_journal_year                    2013
_chemical_formula_moiety         'C8 H3 F6 N3'
_chemical_formula_sum            'C8 H3 F6 N3'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   16.639(3)
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_cell_measurement_theta_min      2.970
_cell_volume                     979.3(3)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         28.34
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_exptl_absorpt_correction_T_max  0.9814
_exptl_absorpt_correction_T_min  0.9491
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_exptl_crystal_F_000             504
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1266
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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