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 | C47H51N3O5 |
| Molecular Weight | 737.93 g/mol |
| Exact Mass | 737.3829 Da |
| InChI |
InChI=1S/C47H51N3O5/c1-6-18-35(19-7-1)30-51-34-40-43(52-31-36-20-8-2-9-21-36)45(53-32-37-22-10-3-11-23-37)46(54-33-38-24-12-4-13-25-38)44(55-40)42-47(48-39-26-14-5-15-27-39)50-29-17-16-28-41(50)49-42/h1-4,6-13,16-25,28-29,39-40,43-46,48H,5,14-15,26-27,30-34H2/t40-,43-,44+,45+,46+/m1/s1
|
| InChIKey |
LZAJFOKWOKKRJV-PPWNLENVSA-N
|
| SMILES |
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](C3=C(NC4CCCCC4)N5C=CC=CC5=N3)O2)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
|
| Number of Atoms | 106 |
| Number of H-Bond Acceptors | 8 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 10 |
| XLogP | 6.3 |
