SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:5]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([C:4]([H:14])([H:15])[H:16])[H:20])=[O:6]>>[H]O[C:5]([C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([C:4]([H:14])([H:15])[H:16])[H:20])=[O:6]
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-R6667
[C:1]([C:2]([C:3]([C:4]([H:14])([H:15])[H:16])([C:5](=[O:6])[C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:17])([H:18])[H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:13][H:26]>>[C:1]([C:2]([C:3]([C:4]([H:14])([H:15])[H:16])([C:5](=[O:6])[O:13][H:26])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:7]([C:8](=[O:9])[C:10](=[O:11])[O:12][H:17])([H:18])[H:19]