Scheme 2.
Proposed mechanism for the formation of 3 from intermediate [2].− and plot of Mulliken spin density of [2].− (UB3LYP‐D3(BJ)/6‐31++G**). Spin density distribution: N1+0.03, C1+0.64, B1 −0.09, C36+0.38, O1+0.10.
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