Radical ligand transfer: a general strategy for radical functionalization
David T. Nemoto Jr, Kang-Jie Bian, Shih-Chieh Kao and Julian G. West
Beilstein J. Org. Chem. 2023, 19, 1225–1233.
https://doi.org/10.3762/bjoc.19.90
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C21H31FeN5O2 |
| Molecular Weight | 441.35 g/mol |
| Exact Mass | 441.1827 Da |
| InChI |
InChI=1S/C17H23N3O2.2C2H3N.Fe/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4;2*1-2-3;/h5-7,10-11,14-15H,8-9H2,1-4H3;2*1H3;/q;;;-2/p+2/t14-,15-;;;/m1.../s1
|
| InChIKey |
WFGFZKKOSRWYBG-OLVQSPPGSA-P
|
| SMILES |
CC#N[Fe]12(N#CC)[N]3=C(C=CC=C3C4=[N]1[C@H](CO4)C(C)C)C5=[N]2[C@H](CO5)C(C)C
|
| Number of Atoms | 60 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 12 |
| XLogP | 4.9 |
