OC: TS5 C-Cl cleavage to form carbene in the presence of di-isopropyl amine -1837.101534 - Henry Rzepa (Imperial College London, 2018)
Gaussian Calculation
Keywords: -1837.101534; InChI=1S/C7H4N2O4.C7H12N.C6H15N.Cl.H2O/c1-5-2-3-6(8(10)11)4-7(5)9(12)13;1-2-5-8-6-3-4-7-8;1-5(2)7-6(3)4;;/h1-4H;2,5H,1,3-4,6-7H2;5-7H,1-4H3;;1H2; LUELQQNJBKRIKC-UHFFFAOYSA-N