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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>14</sub>H<sub>18</sub>N<sub>4</sub>O<sub>3</sub>

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Extracted from

Scheme 44

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₈N₄O₃
Molecular Weight	290.32 g/mol
Exact Mass	290.1379 Da
InChI	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKey	IEDVJHCEMCRBQM-UHFFFAOYSA-N
SMILES	COC1=CC(=CC(=C1OC)OC)CC2=C(N)N=C(N)N=C2
Number of Atoms	39
Number of H-Bond Acceptors	7
Number of H-Bond Donors	2
Atoms in the Largest π-System	9
XLogP	-0.8

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