SMIRKS
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])([H:19])[H:20].[H]OC(=O)[C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24]>>[H][O:5][C:4]([C:3]([C:2]([C:1]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24])[H:13]
Derived Operators
EVODEX.1-F52 - Elemental Balance
| C | -1 |
| O | -2 |
EVODEX.1-M28 - Mass Difference
-43.9898
EVODEX.1-E573 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#6](=[#8])-[#8]-[H].[#6:14]-[#6:15](=[#8:16])-[H:27]>>[#6:2]-[#6:3](=[#8:4])-[#6:15](-[#6:14])(-[#8:16]-[H])-[H:27]
EVODEX.1-C266 - Reaction Operator C
[#8:10]=[#6:11].[H]-[#8]-[#6](=[#8])-[#6:5]>>[H]-[#8:10]-[#6:11]-[#6:5]
EVODEX.1-N293 - Reaction Operator N
[#8:10]=[#6:11](-[#6:12])-[H:23].[H]-[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])(-[#6:12])-[H:23]
EVODEX.1-Em417 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:12].[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])-[#6:12]
EVODEX.1-Nm377 - Reaction Operator Nm
[#8:10]=[#6:11]-[#6:12].[#8]-[#6](=[#8])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8:10]-[#6:11](-[#6:5](-[#6:4])=[#8:6])-[#6:12]
Source Full Reactions
EVODEX.1-R1889
[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])([H:19])[H:20].[H][O:8][C:7](=[O:6])[C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24]>>[H][O:5][C:4]([C:3]([C:2]([C:1]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([C:9](=[O:10])[C:11]([O:12][H:22])([H:23])[H:24])[H:13].[O:6]=[C:7]=[O:8]