SMIRKS
[C:1]([C:2](=[C:3]([C:4](=[O:5])[O:6][C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]2:[C:11]([C:12]([H:22])([H:23])[H:24]):[C:13]([H:25]):[C:14](=[O:15]):[O:16]:[C:17]:2:[C:18]:1[H:26])[H:27])[H:28])([H:29])([H:30])[H:31]>>[H]O[C:4]([C:3](=[C:2]([C:1]([H:29])([H:30])[H:31])[H:28])[H:27])=[O:5].[H][O:6][C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]2:[C:11]([C:12]([H:22])([H:23])[H:24]):[C:13]([H:25]):[C:14](=[O:15]):[O:16]:[C:17]:2:[C:18]:1[H:26]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-N54 - Reaction Operator N
[#6:19](-[#6@:17])(=[#8:20])-[#8:21]-[#6@:22]>>[H]-[#8]-[#6:19](-[#6@:17])=[#8:20].[H]-[#8:21]-[#6@:22]
EVODEX.1-Em588 - Reaction Operator Em
[#8:2]=[#6:3](-[#6:4]=[#6:5])-[#8:13]-[#6:14]>>[H]-[#8:13]-[#6:14].[H]-[#8]-[#6:3](=[#8:2])-[#6:4]=[#6:5]
EVODEX.1-Nm148 - Reaction Operator Nm
[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]
Source Full Reactions
EVODEX.1-R4736
[C:1]([C:2](=[C:3]([C:4](=[O:5])[O:6][C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]2:[C:11]([C:12]([H:22])([H:23])[H:24]):[C:13]([H:25]):[C:14](=[O:15]):[O:16]:[C:17]:2:[C:18]:1[H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:19][H:32]>>[C:1]([C:2](=[C:3]([C:4](=[O:5])[O:19][H:32])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:6][C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]2:[C:11]([C:12]([H:22])([H:23])[H:24]):[C:13]([H:25]):[C:14](=[O:15]):[O:16]:[C:17]:2:[C:18]:1[H:26]