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Details of all calculation methods, along with additional calculations not presented in the manuscript, can be found in the Supporting Information
-
Details of all calculation methods, along with additional calculations not presented in the manuscript, can be found in the Supporting Information.
-
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56
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85021066748
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The barrier to aryl C−H insertion is 7.4 kcal mol, lower in energy when using catalyst 3, for which formyl labeling is also disfavored, which is consistent with the observed, ortho, -selectivity with 3 (Scheme 2; see the Supporting Information)
-
The barrier to aryl C−H insertion is 7.4 kcal mol−1 lower in energy when using catalyst 3, for which formyl labeling is also disfavored, which is consistent with the observed ortho-selectivity with 3 (Scheme 2; see the Supporting Information).
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