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 | C38H36N6O2 |
| Molecular Weight | 608.73 g/mol |
| Exact Mass | 608.2900 Da |
| InChI |
InChI=1S/C38H36N6O2/c1-3-45-31-19-15-29(16-20-31)35-37(43-23-7-5-9-33(43)41-35)39-25-27-11-13-28(14-12-27)26-40-38-36(42-34-10-6-8-24-44(34)38)30-17-21-32(22-18-30)46-4-2/h5-24,39-40H,3-4,25-26H2,1-2H3
|
| InChIKey |
AHMXLAGPLJPQTJ-UHFFFAOYSA-N
|
| SMILES |
CCOC1=CC=C(C=C1)C2=C(NCC3=CC=C(C=C3)CNC4=C(C5=CC=C(C=C5)OCC)N=C6C=CC=CN64)N7C=CC=CC7=N2
|
| Number of Atoms | 82 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 17 |
| XLogP | 5.0 |
