SMIRKS
[C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H]OC(=O)[C:5]([C:4]([C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:6]>>[H][O:15][C:14]([C:5]([C:4]([C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:6])([C:13]([C:12]([C:11]([C:10]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[H:16]
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-R1887
[C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][O:9][C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:6])=[O:8]>>[C:7](=[O:8])=[O:9].[H][O:15][C:14]([C:5]([C:4]([C:3]([C:2]([C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:6])([C:13]([C:12]([C:11]([C:10]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[H:16]