SMIRKS
[O:8]=[C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([O:15][H:24]):[C:16]:1[H:25])[H:26]>>[H]OC([H])([H])C(=O)[C:9]([O:8][H])([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([O:15][H:24]):[C:16]:1[H:25])[H:26]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E954 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[H:18]>>[#6:1]-[#6:2](-[#8:3]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H:18]
EVODEX.1-C264 - Reaction Operator C
[#8:15]=[#6:16]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:16]-[#8:15]-[H]
EVODEX.1-N291 - Reaction Operator N
[#8:15]=[#6:16](-[#6@:17])-[H:34]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:16](-[#8:15]-[H])(-[#6@:17])-[H:34]
EVODEX.1-Em56 - Reaction Operator Em
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
EVODEX.1-Nm71 - Reaction Operator Nm
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
Source Full Reactions
EVODEX.1-R1890
[H][O:3][C:2](=[O:1])[C:4](=[O:5])[C:6]([O:7][H:18])([H:19])[H:20].[O:8]=[C:9]([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([O:15][H:24]):[C:16]:1[H:25])[H:26]>>[H][O:8][C:9]([C:4](=[O:5])[C:6]([O:7][H:18])([H:19])[H:20])([C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]([O:15][H:24]):[C:16]:1[H:25])[H:26].[O:1]=[C:2]=[O:3]