In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. 85-61-0, Name is Coenzyme A, SMILES is CC(COP(O)(OP(O)(OC[C@](O1)([H])[C@](OP(O)(O)=O)([H])[C@](O)([H])[C@]1([H])N2C=NC(C2=NC=N3)=C3N)=O)=O)(C(O)([H])/C(O)=N/CC/C(O)=N/CCS)C, in an article , author is Li, Wei Lin, once mentioned of 85-61-0, COA of Formula: https://www.ambeed.com/products/85-61-0.html.
An environmentally friendly procedure for the preparation of 10-aryl-6,8-dimethyl-6,10-dihydro-5-oxa-6,8-diazaanthra[2,3-d][1,3]dioxole-7,9-diones under thermal solvent-free conditions in the presence of cyanuric chloride as heterogeneous catalyst was developed. (C) 2011 Wei Lin Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
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Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem