Substrate scope for the chlorination catalyzed by [(Biot^C4-bAQ)Ni] 1·Sav variants^a.

Substrate	BDE of the C–H (kcal mol−1)b	Sav variant	Product	TONc
	94.9	S112P–K121Y		56 ± 2(42)d
	89.6			100 ± 7(78)d
	110.9	S112F–K121Y		16 ± 4(3)d
	111.2			9 ± 2(2)d
	86.9	S112F–K121Y		55 ± 4(55)d
				200 ± 2(190)d
	97.2	S112P–K121Y		51 ± 3(44)d
	98.8	WT		11 ± 1

^aReaction conditions: [substrate] = 20 mM, [Ca(ClO)₂] = 200 mM, [[(Biot^C4-bAQ)Ni] 1] = 50 μM, [Sav FBS] = 100 μM, MeCN/phosphate buffer (pH 9, 100 mM) = 200/300 μL, 25 °C, 1 h. Sav FBS = streptavidin free binding sites.

^bBond dissociation energy (BDE) computed with the BDE estimator at https://bde.ml.nrel.gov.

^cTONs were determined by GC-MS.

^dTON in brackets are from reactions using Sav WT.