Hybrid retrosynthesis organic synthesis using Reaxys and SciFinder 1st Edition by Michael Smith ISBN 978-0124114982 0124114989
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Product details:
ISBN 10: 0124114989
ISBN 13: 978-0124114982
Author: Michael B. Smith
Designed to supplement existing organic textbooks, Hybrid Retrosynthesis presents a relatively simple approach to solving synthesis problems, using a small library of basic reactions along with the computer searching capabilities of Reaxys and SciFinder. This clear, concise guide reviews the essential skills needed for organic synthesis and retrosynthesis, expanding reader knowledge of the foundational principles of these techniques, whilst supporting their use via practical methodologies.
Perfect for both graduate and post-graduate students, Hybrid Retrosynthesis provides new applied skills and tools to help during their organic synthesis courses and future careers, whilst simultaneously acting as useful resource for those setting tutorial and group problems, and as a helpful go-to guide for organic chemists involved in either industry or academia.
Ideal revision and hands on learning guide for organic synthesis
Clearly explains the principles and practice of retrosynthesis, which is often not covered in other books
Encourages readers to practice their synthetic knowledge supported by real life examples
Table of contents:
Introduction
1.1 Overview of Hybrid Retrosynthesis
1.2 Importance of Organic Synthesis in Chemical Research
1.3 Role of Reaxys and SciFinder in Modern Organic Synthesis
1.4 Objectives and Scope of the Book
Fundamentals of Retrosynthesis
2.1 Definition and Concept of Retrosynthesis
2.2 Historical Development of Retrosynthesis
2.3 Key Principles and Strategies
2.4 Contemporary Approaches in Organic Synthesis
Introduction to Reaxys and SciFinder
3.1 Reaxys: A Comprehensive Overview
3.1.1 Database Content and Structure
3.1.2 Search Strategies and Tools
3.1.3 Recent Developments in Reaxys
3.2 SciFinder: Features and Functionality
3.2.1 Chemical Abstracts Service (CAS) Registry
3.2.2 Reaction Searching and Retrieval
3.2.3 Enhancements in SciFinder for Organic Synthesis
Integrating Reaxys and SciFinder into Retrosynthesis
4.1 Leveraging Reaxys for Retrosynthetic Analysis
4.1.1 Structure and Reaction Searching
4.1.2 Extracting Relevant Synthetic Information
4.1.3 Utilizing Reaction Templates in Retrosynthesis
4.2 SciFinder’s Role in Streamlining Retrosynthesis
4.2.1 Accessing Reaction Databases
4.2.2 Identifying Synthetic Pathways and Building Blocks
4.2.3 Incorporating SciFinder Data into Synthesis Planning
Case Studies: Application of Hybrid Retrosynthesis
5.1 Case Study 1: Targeting Complex Molecules with Reaxys and SciFinder
5.1.1 Selection of the Target Compound
5.1.2 Step-by-Step Retrosynthesis using Reaxys and SciFinder
5.1.3 Evaluation of Synthetic Pathways
5.2 Case Study 2: Designing Green Syntheses with Database Integration
5.2.1 Focus on Sustainable Chemistry
5.2.2 Application of Reaxys and SciFinder for Green Synthesis
5.2.3 Analyzing Eco-friendly Synthetic Routes
Advanced Techniques in Hybrid Retrosynthesis
6.1 Computer-Aided Retrosynthesis: Beyond Traditional Approaches
6.1.1 Overview of Computer-Aided Synthesis Tools
6.1.2 Integration with Reaxys and SciFinder
6.2 Machine Learning in Retrosynthesis
6.2.1 Data-driven Approaches in Organic Synthesis
6.2.2 Utilizing Machine Learning Models with Database Outputs
Future Trends and Developments
7.1 Emerging Technologies in Organic Synthesis
7.1.1 Continuous Flow Synthesis
7.1.2 Automation and Robotics in the Laboratory
7.2 Evolving Role of Databases in Organic Chemistry
7.2.1 Predictive Synthesis Planning
7.2.2 Collaborative Platforms for Chemical Research
Challenges and Considerations in Hybrid Retrosynthesis
8.1 Limitations of Database Integration
8.1.1 Incomplete or Inaccurate Data
8.1.2 Challenges in Algorithmic Predictions
8.2 Ethical and Legal Considerations
8.2.1 Intellectual Property Issues
8.2.2 Responsible Use of Synthetic Information
Practical Guide for Researchers and Students
9.1 Tips for Effective Database Searches
9.2 Building Robust Synthetic Strategies
9.3 Troubleshooting in Retrosynthesis Planning
Conclusion
10.1 Recapitulation of Key Concepts
10.2 Future Prospects in Hybrid Retrosynthesis
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Tags: Michael Smith, Hybrid retrosynthesis, organic synthesis