Reaction Difference Fragment Calculation



Here, you can input a reaction smirks string,then the reaction difference fragment results will be calculated.
Enter Reactions

Reaction input (via JME)


(Example) Try O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc12.OC[C@H]1OC(O)C(NC(=O)C)C(O)C1O>>O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc12.OC[C@H]1O[C@H](OP(=O)(O)O)C(NC(=O)C)C(O)C1O as input

RxnFinder ECAssigner RxnIP Hu Lab College of Pharmacy Wuhan University