SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])=[O:5].[H][O:12][H:23]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:12][H:23])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E567 - Reaction Operator E
[#6:4](-[#6@:2])(=[#8:5])-[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H])-[H].[#8:12](-[H:21])-[H]>>[#6:4](-[#6@:2])(=[#8:5])-[#8:12]-[H:21]
EVODEX.1-C722 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:4].[H]-[#8:12]>>[#6:4]-[#8:12]
EVODEX.1-N890 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:4](-[#6@:2])=[#8:5].[H]-[#8:12]-[H:21]>>[#6:4](-[#6@:2])(=[#8:5])-[#8:12]-[H:21]
EVODEX.1-Em135 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
EVODEX.1-Nm165 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
Source Full Reactions
EVODEX.1-R6664
[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][O:12][H:23]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[O:12][H:23])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:13])([H:14])[H:15]