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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure C<sub>13</sub>H<sub>15</sub>NO<sub>2</sub>S

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₁₅NO₂S
Molecular Weight	249.33 g/mol
Exact Mass	249.0824 Da
InChI	InChI=1S/C13H15NO2S/c1-2-16-13(15)9-12(11-5-8-17-10-11)14-6-3-4-7-14/h3-8,10,12H,2,9H2,1H3
InChIKey	HHALOPSCTOQDPW-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(C1=CSC=C1)N2C=CC=C2
Number of Atoms	32
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	5
XLogP	2.6

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