SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C@:7]([O:8][H])([C@:9]([O:10][H:17])([C@:11]([O:12][H:18])([C:13]([O:14][H:19])([H:20])[H:21])[H:22])[H:23])[H:24]>>[C:7](=[O:8])([C@:9]([O:10][H:17])([C@:11]([O:12][H:18])([C:13]([O:14][H:19])([H:20])[H:21])[H:22])[H:23])[H:24]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E564 - Reaction Operator E
[#6:2]-[#6:4](-[#8:5]-[H])(-[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H:19]>>[#6:2]-[#6:4](=[#8:5])-[H:19]
EVODEX.1-C727 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]
EVODEX.1-N931 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14](-[#6@:12])(-[#8:15]-[H])-[H:35]>>[#6:14](-[#6@:12])(=[#8:15])-[H:35]
EVODEX.1-Em739 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
EVODEX.1-Nm668 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
Source Full Reactions
EVODEX.1-R6959
[H][O:8][C@@:7]([C:6]([C:4]([C:2](=[O:1])[O:3][H:15])=[O:5])([H:25])[H:26])([C@:9]([O:10][H:17])([C@:11]([O:12][H:18])([C:13]([O:14][H:19])([H:20])[H:21])[H:22])[H:23])[H:24]>>[C:7](=[O:8])([C@:9]([O:10][H:17])([C@:11]([O:12][H:18])([C:13]([O:14][H:19])([H:20])[H:21])[H:22])[H:23])[H:24].[H][C:6]([C:4]([C:2](=[O:1])[O:3][H:15])=[O:5])([H:25])[H:26]