SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:8](=[O:9])[C:10]1:[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]:1[H:21].[H][O:1][H:24]>>[O:1]([C:8](=[O:9])[C:10]1:[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]:1[H:21])[H:24]
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-R6668
[O:2]=[C:3]([O:4][H:16])[C:5](=[O:6])[C:7]([C:8](=[O:9])[C:10]1:[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]:1[H:21])([H:22])[H:23].[H][O:1][H:24]>>[H][C:7]([C:5]([C:3](=[O:2])[O:4][H:16])=[O:6])([H:22])[H:23].[O:1]([C:8](=[O:9])[C:10]1:[C:11]([H:17]):[C:12]([H:18]):[C:13]([H:19]):[C:14]([H:20]):[C:15]:1[H:21])[H:24]