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 | C25H23N5O5S |
| Molecular Weight | 505.55 g/mol |
| Exact Mass | 505.1420 Da |
| InChI |
InChI=1S/C25H23N5O5S/c1-25(2,3)27-22-21(26-20-14-7-8-15-29(20)22)17-10-9-11-18(16-17)34-23-24(30(31)35-28-23)36(32,33)19-12-5-4-6-13-19/h4-16,27H,1-3H3
|
| InChIKey |
RWHVAPCALWEZRH-UHFFFAOYSA-N
|
| SMILES |
CC(C)(C)NC1=C(C2=CC=CC(=C2)OC3=NO[N+](=C3S(=O)(=O)C4=CC=CC=C4)[O-])N=C5C=CC=CN51
|
| Number of Atoms | 59 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 32 |
| XLogP | 5.2 |
