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Computational mechanistic studies on the Rhodium-Catalysed ortho-Alkynylation of Nitroarenes. These results, together with experimental studies, demonstrate that the reaction proceeds via a turnover-limiting electrophilic C–H metalation ortho to the strongly electron-withdrawing nitro group.

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-158

This dataset derived results are published in:

Manuscript title: Rhodium-Catalysed ortho-Alkynylation of Nitroarenes

Journal: Chem. Sci.

DOI: 10.1039/D1SC04527J

View as
  • ROOT
    • Paper
      • Outputs_Inputs_CGET
        • 1_NO2
        • 1a
        • 1ae
        • 1ai
        • 1j
        • 1p
        • 1q
        • 1r
        • 1s
        • 1t
        • 1u
        • 2a
        • 2b
        • 2c
        • 2d
        • 2f
        • 3a
        • 3a_Ph
        • 3a_TES
        • 3j
        • AcOH
        • AgBr
        • AgCl
        • AgI
        • AgOAc
        • ICp_star
        • II
          • NBO
        • III
        • III_Br_Cpstar
        • III_CF3_Cpstar
        • III_Cl_Cpstar
        • III_F_Cpstar
        • III_H_CPstar
        • III_H_Cp
        • III_Me_Cpstar
        • III_NO2_Cpstar
        • III_OMe_Cpstar
        • II_Br_Cpstar
        • II_CF3_Cpstar
        • II_Cl_Cpstar
        • II_F_Cpstar
        • II_H_CPstar
        • II_H_Cp
        • II_Me_Cpstar
        • II_NO2_Cpstar
        • II_OMe_Cpstar
        • IV
        • KIE_110
          • 1j_110
          • 1j_d5_110
          • 2_110
          • III_D_Cp_110
          • III_D_Cpstar_II_III
          • III_H_Cp_110
          • III_H_Cpstar_110
          • II_D_Cp_110
          • II_D_Cpstar_110
          • II_H_Cp_110
          • II_H_Cpstar_110
          • I_110
          • I_Cp_star_110
          • TS_D_Cp_II_III_110
          • TS_D_Cpstar_II_III
          • TS_H_Cp_II_III_110
          • TS_H_Cpstar_II_III
        • NBO
        • S1
        • S10
        • S11
        • S12
        • S13
        • S14
        • S15
        • S16
        • S17
        • S18
        • S19
        • S2
        • S20
        • S21
        • S22
        • S23
        • S24
        • S25
        • S26
        • S27
        • S28
        • S29
        • S3
        • S30
        • S31
        • S32
        • S33
        • S34
        • S4
        • S5
        • S6
        • S7
        • S8
        • S9
        • TSCH2
        • TSCH2_4
        • TSCH2_Inter
        • TSCH_4
        • TSCH_Inter
        • TSII_III
          • NBO
        • TSIV_V
          • NBO
        • TSS12_S13
        • TSS14_S15
        • TSS17_S18
        • TSS20_S21
        • TSS22_VII
        • TSS24_S25
        • TSS26_VII
        • TSS28_S29
        • TSS30_S31
        • TSS33_Vprima
        • TSVI_VII
          • NBO
        • TSVIprima_S34
        • TS_Br_Cpstar_II_III
          • NBO
        • TS_CF3_Cpstar_II_III
          • NBO
        • TS_Cl_Cpstar_II_III
          • NBO
        • TS_F_Cpstar_II_III
          • NBO
        • TS_H_Cp_II_III
        • TS_H_Cpstar_II_III
          • NBO
        • TS_Me_Cpstar_II_III
          • NBO
        • TS_NO2_Cpstar_II_III
          • NBO
        • TS_OMe_Cpstar_II_III
          • NBO
        • VI
          • NBO
        • VII
        • VI_prima
          • NBO
        • V_prima
          • NBO
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