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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

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Chemical structure C<sub>19</sub>H<sub>19</sub>N<sub>3</sub>O<sub>2</sub>

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Figure 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₉H₁₉N₃O₂
Molecular Weight	321.37 g/mol
Exact Mass	321.1477 Da
InChI	InChI=1S/C19H19N3O2/c1-23-15-9-8-13(12-16(15)24-2)19-18(14-6-3-4-10-20-14)21-17-7-5-11-22(17)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKey	UHXUJOXRCMQBQK-UHFFFAOYSA-N
SMILES	COC1=C(C=C(C=C1)C2=C(C3=NC=CC=C3)N=C4CCCN42)OC
Number of Atoms	43
Number of H-Bond Acceptors	5
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	1.5

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