OC: TS3, C-C bond formation with di-isopropyl amine present IRC - Henry Rzepa (Imperial College London, 2018)
Gaussian Calculation
Keywords: InChI=1S/C14H16ClN3O4.C6H15N.H2O/c15-13(4-3-9-16-7-1-2-8-16)12-6-5-11(17(19)20)10-14(12)18(21)22;1-5(2)7-6(3)4;/h3,5-6,9-10,13H,1-2,4,7-8H2;5-7H,1-4H3;1H2/b9-3+;;/t13-;;/m1../s1; InChI=1S/C7H4ClN2O4.C7H12N.C6H15N.H2O/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14;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; DUOCCONVQBAROP-HIAYFBNESA-N; GFMUQXOXUZUQLN-UHFFFAOYSA-N