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. 2013 May 3;135(21):8001–8015. doi: 10.1021/ja402016p

Figure 15.

Figure 15

Transition-state structures for hydrogen abstraction from C6 and C7 of a truncated model of S-warfarin, calculated in vacuo at the B3LYP-D/BSIII level of theory. The carbon atoms corresponding to C6 and C7 hydroxylation are in purple and yellow, respectively.