Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation
Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets
Beilstein J. Org. Chem. 2024, 20, 2208–2216.
https://doi.org/10.3762/bjoc.20.188
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C23H19N3O |
| Molecular Weight | 353.42 g/mol |
| Exact Mass | 353.1528 Da |
| InChI |
InChI=1S/C23H19N3O/c1-2-13-24-21-15-19(17-9-5-3-6-10-17)14-20(16-21)23-26-25-22(27-23)18-11-7-4-8-12-18/h2-12,14-16,24H,1,13H2
|
| InChIKey |
CEFGQKXFFRVIHB-UHFFFAOYSA-N
|
| SMILES |
C=CCNC1=CC(=CC(=C1)C2=CC=CC=C2)C3=NN=C(C4=CC=CC=C4)O3
|
| Number of Atoms | 46 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 24 |
| XLogP | 5.3 |
