BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection

被引：12
作者：
Reid, Jolene P. [1 ,2 ]
Ermanis, Kristaps [1 ]
Goodman, Jonathan M. [1 ]
机构：
[1] Univ Cambridge, Dept Chem, Ctr Mol Informat, Lensfield Rd, Cambridge CB2 1EW, England
[2] Univ Utah, Dept Chem, 315 S 1400 E, Salt Lake City, UT 84112 USA
来源：
CHEMICAL COMMUNICATIONS | 2019年 / 55卷 / 12期
基金：
英国工程与自然科学研究理事会;
关键词：
ORIENTED RETROSYNTHETIC ANALYSIS; BRONSTED ACID; TRANSFER HYDROGENATION; LHASA PROGRAM; IMINES; PREDICTION; CONSTRUCTION; ACTIVATION; PRODUCT; ROBIA;
D O I：
10.1039/c8cc09344j
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A catalyst selection program, BINOPtimal, has been developed. This interactive web tool selects the best performing chiral phosphoric acid catalysts from analysis of the starting materials, imine and nucleophile, on the basis of rules derived from the transformations within its database. This procedure has been applied to an example transformation demonstrating the potential to assist reaction design. The tool is available at www-mmm.ch.cam.ac.uk.
引用
收藏
页码：1778 / 1781
页数：4
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