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 | C23H21N5O5S2 |
| Molecular Weight | 511.58 g/mol |
| Exact Mass | 511.0984 Da |
| InChI |
InChI=1S/C23H21N5O5S2/c1-23(2,3)25-19-18(24-22-27(19)12-13-34-22)15-8-7-9-16(14-15)32-20-21(28(29)33-26-20)35(30,31)17-10-5-4-6-11-17/h4-14,25H,1-3H3
|
| InChIKey |
PZKYOYHQPOOVGO-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC(=CC=C2)OC3=NO[N+](=C3S(=O)(=O)C4=CC=CC=C4)[O-])N=C5N1C=CS5
|
| Number of Atoms | 56 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 30 |
| XLogP | 5.6 |
