Proton transfers in the Strecker reaction revealed by DFT calculations
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چکیده
منابع مشابه
Proton transfers in the Strecker reaction revealed by DFT calculations
The Strecker reaction of acetaldehyde, NH3, and HCN to afford alanine was studied by DFT calculations for the first time, which involves two reaction stages. In the first reaction stage, the aminonitrile was formed. The rate-determining step is the deprotonation of the NH3 (+) group in MeCH(OH)-NH3 (+) to form 1-aminoethanol, which occurs with an activation energy barrier (ΔE (≠)) of 9.6 kcal/m...
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ژورنال
عنوان ژورنال: Beilstein Journal of Organic Chemistry
سال: 2014
ISSN: 1860-5397
DOI: 10.3762/bjoc.10.184