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. 2019 Dec 10;15:2948–2957. doi: 10.3762/bjoc.15.290

Figure 4.

Figure 4

ωB97X-D/6-31G* calculated Ph-thiourea (top) and squaramide-catalyzed (bottom) Ireland–Claisen rearrangement of 1c. Charges on allylic oxygen (blue); C–O bond-breaking and C–C bond-forming distances in TS (black); hydrogen-bond distances (black).