meta-selective C(sp2)–H alkynylation by Inverse Sonogashira
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下载链接：
https://zenodo.org/record/3376706
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资源简介：
This folder contains the output log files of the study of Pd-catalysed alkynylation
entitled "A Linchpin Approach to Access Drug-Pharmacophore Conjugate by Inverse Sonogashira at meta-Position: Experimental and Computational Exploration"
The folder structure is organised as below:
/0_sm/: starting materials for the reactions
/1_alkynylation_of_1b/: alkynylation reaction using substrate 1b, including regioconvergence studies
/2_alkynylation_of_1b_aa_ligand/: alkynylation (C-H activation and 1,2-migratory insertion) reaction using MPAA ligand instead of acetate
/3_alkynylation_of_1b_copper/: alkynylation involving Cu(OAc)2 additive
/4_arene_site_selectivity_ortho_para/: site selectivity studies for C-H activation
/5_alternative_oxidative_addition_TSs/: oxidative addition TSs that all have higher activation barriers that 1,2-migratory insertion TSs
/6_ethynyltrimethylsilane_1c/: alkynylation reaction using substrate 1c, including regioconvergence studies
/7_bromoethynylbenzene_1d/: alkynylation reaction using substrate 1d, including regioconvergence studies
创建时间：
2020-02-04
