SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:4]([C:2]([C:1]([H:20])([H:21])[H:22])([C:3]([H:13])([H:14])[H:15])[H:19])=[O:5]>>[H]O[C:4]([C:2]([C:1]([H:20])([H:21])[H:22])([C:3]([H:13])([H:14])[H:15])[H:19])=[O:5]
Derived Operators
EVODEX.1-F38 - Elemental Balance
| C | -3 |
| O | -2 |
| H | -2 |
EVODEX.1-M98 - Mass Difference
-70.00546
EVODEX.1-E513 - Reaction Operator E
[#6:4](-[#6@:2])(=[#8:5])-[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H])-[H]>>[#6:4](-[#6@:2])(=[#8:5])-[#8]-[H]
EVODEX.1-C723 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:8]>>[H]-[#8]-[#6:8]
EVODEX.1-N891 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
EVODEX.1-Em136 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
EVODEX.1-Nm166 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
Source Full Reactions
EVODEX.1-R6666
[C:1]([C:2]([C:3]([H:13])([H:14])[H:15])([C:4](=[O:5])[C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][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]([H:13])([H:14])[H:15])([C:4](=[O:5])[O:12][H:23])[H:19])([H:20])([H:21])[H:22].[H][C:6]([C:7](=[O:8])[C:9](=[O:10])[O:11][H:16])([H:17])[H:18]