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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>18</sub>H<sub>15</sub>N<sub>5</sub>

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Figure 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₅N₅
Molecular Weight	301.35 g/mol
Exact Mass	301.1328 Da
InChI	InChI=1S/C18H15N5/c1-2-4-14(5-3-1)12-21-18-17(15-6-8-19-9-7-15)22-16-13-20-10-11-23(16)18/h1-11,13,21H,12H2
InChIKey	KVSGUUDSIVWNBH-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CNC2=C(C3=CC=NC=C3)N=C4C=NC=CN42
Number of Atoms	38
Number of H-Bond Acceptors	5
Number of H-Bond Donors	1
Atoms in the Largest π-System	16
XLogP	1.2

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