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 | C27H22F3N7O |
| Molecular Weight | 517.51 g/mol |
| Exact Mass | 517.1838 Da |
| InChI |
InChI=1S/C27H22F3N7O/c1-26(2,3)35-24-21(33-20-9-4-5-12-37(20)24)15-7-6-8-16(13-15)22-31-18-11-10-17(14-19(18)32-22)23-34-25(38-36-23)27(28,29)30/h4-14,35H,1-3H3,(H,31,32)
|
| InChIKey |
JAJHZQMZEXOYNC-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC(=CC=C2)C3=NC4=CC(=CC=C4N3)C5=NOC(=N5)C(F)(F)F)N=C6C=CC=CN61
|
| Number of Atoms | 60 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 30 |
| XLogP | 4.9 |
