SMIRKS
[H]OC(=O)[C:8]([C:7]1:[C:2]([C:1]([H:18])([H:19])[H:20]):[C:3]([H:13]):[C:4]([H:14]):[C:5]([H:15]):[C:6]:1[H:16])=[O:9]>>[H][C:8]([C:7]1:[C:2]([C:1]([H:18])([H:19])[H:20]):[C:3]([H:13]):[C:4]([H:14]):[C:5]([H:15]):[C:6]:1[H:16])=[O:9]
Derived Operators
EVODEX.1-F52 - Elemental Balance
| C | -1 |
| O | -2 |
EVODEX.1-M28 - Mass Difference
-43.9898
EVODEX.1-E570 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6:4](=[#8:5])-[#6:6]>>[#6:4](=[#8:5])(-[#6:6])-[H]
EVODEX.1-N907 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Em716 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Nm645 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
Source Full Reactions
EVODEX.1-R6789
[H][O:12][C:10]([C:8]([C:7]1:[C:2]([C:1]([H:18])([H:19])[H:20]):[C:3]([H:13]):[C:4]([H:14]):[C:5]([H:15]):[C:6]:1[H:16])=[O:9])=[O:11]>>[C:10](=[O:11])=[O:12].[H][C:8]([C:7]1:[C:2]([C:1]([H:18])([H:19])[H:20]):[C:3]([H:13]):[C:4]([H:14]):[C:5]([H:15]):[C:6]:1[H:16])=[O:9]