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

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Extracted from

Scheme 33

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₈N₄O₃S
Molecular Weight	370.43 g/mol
Exact Mass	370.1100 Da
InChI	InChI=1S/C18H18N4O3S/c1-14-12-21-17(13-20-14)18(23)19-9-8-15-4-6-16(7-5-15)26(24,25)22-10-2-3-11-22/h2-7,10-13H,8-9H2,1H3,(H,19,23)
InChIKey	RAMCXVHZEFBFAI-UHFFFAOYSA-N
SMILES	CC1=NC=C(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N3C=CC=C3)N=C1
Number of Atoms	44
Number of H-Bond Acceptors	7
Number of H-Bond Donors	1
Atoms in the Largest π-System	14
XLogP	-0.3

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