Free download Hybrid RETROSYNTHESIS Organic Synthesis using Reaxys and SciFinder By John D’Angelo

Authors of: Hybrid RETROSYNTHESIS Organic Synthesis using Reaxys and SciFinder By John D’Angelos

John D’Angelo

Michael B. Smith

Table of Contents in Hybrid RETROSYNTHESIS Organic Synthesis using Reaxys and SciFinder By John D’Angelo

“Crafted as a complementary resource to traditional organic textbooks, Hybrid Retrosynthesis offers a straightforward method for tackling synthesis challenges. It leverages a concise set of fundamental reactions in conjunction with the search capabilities of Reaxys and SciFinder. This user-friendly guide elucidates crucial skills essential for organic synthesis and retrosynthesis, deepening readers’ understanding of the underlying principles while facilitating practical application through hands-on methodologies.

Tailored for graduate and post-graduate students, Hybrid Retrosynthesis equips them with applied skills and tools to navigate their organic synthesis courses and future professional endeavors. Simultaneously, it serves as a valuable asset for educators creating tutorial and group problems, and proves an indispensable reference for organic chemists in both industrial and academic settings.

This resource stands out as an ideal revision and hands-on learning companion for organic synthesis. It adeptly clarifies the principles and practices of retrosynthesis, often overlooked in other literature, and encourages readers to hone their synthetic knowledge through real-life examples.”

1. 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

2. 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

3. 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

4. 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

5. 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

6. 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

7. 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

8. 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

9. 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

10. Conclusion

   10.1 Recapitulation of Key Concepts

   10.2 Future Prospects in Hybrid RETROSYNTHESIS

Appendix: Useful Resources and Tools

   – Online Tutorials

   – Additional Reading Materials

   – Software and Tools for Organic Synthesis

Glossary

Index

This comprehensive table of contents aims to guide readers through the systematic exploration of Hybrid RETROSYNTHESIS using the powerful tools of Reaxys and SciFinder, offering a blend of theoretical insights, practical applications, and hands-on case studies.

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Free download Hybrid RETROSYNTHESIS Organic Synthesis using Reaxys and SciFinder By John D’Angelo

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