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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>8</sub>H<sub>15</sub>N<sub>2</sub>O<sub>3</sub>S]<sup>+</sup>

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₈H₁₅N₂O₃S]⁺
Molecular Weight	219.28 g/mol
Exact Mass	219.0803 Da
InChI	InChI=1S/C8H14N2O3S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13/h5-6,8H,2-4,7H2,1H3/p+1
InChIKey	MWTPWZNBIZUXBT-UHFFFAOYSA-O
SMILES	CN1C=C[N+](=C1)CCCCS(=O)(=O)O
Number of Atoms	29
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	5
XLogP	0.8

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