The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)
Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso
Beilstein J. Org. Chem. 2024, 20, 1839–1879.
https://doi.org/10.3762/bjoc.20.162
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C20H18F3N5O |
| Molecular Weight | 401.39 g/mol |
| Exact Mass | 401.1463 Da |
| InChI |
InChI=1S/C20H18F3N5O/c1-19(2,3)26-17-15(24-14-6-4-5-11-28(14)17)12-7-9-13(10-8-12)16-25-18(29-27-16)20(21,22)23/h4-11,26H,1-3H3
|
| InChIKey |
QCKNTQLUQMEQRQ-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC=C(C=C2)C3=NOC(=N3)C(F)(F)F)N=C4C=CC=CN41
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 21 |
| XLogP | 4.1 |
