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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>17</sub>H<sub>19</sub>N<sub>5</sub>O<sub>2</sub>

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Extracted from

Scheme 47

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₉N₅O₂
Molecular Weight	325.37 g/mol
Exact Mass	325.1539 Da
InChI	InChI=1S/C17H19N5O2/c1-3-20(4-2)13-7-5-12(6-8-13)16-17(18)21-10-9-14(22(23)24)11-15(21)19-16/h5-11H,3-4,18H2,1-2H3
InChIKey	CDNKABOKMQEIAM-UHFFFAOYSA-N
SMILES	CCN(CC)C1=CC=C(C=C1)C2=C(N)N3C=CC(=CC3=N2)[N+](=O)[O-]
Number of Atoms	43
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	20
XLogP	2.9

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