SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:19]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([H:20])([H:21])[H:22])([C:13]([H:23])([H:24])[H:25])[H:26])[H:27])[H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[O:17][H:31])([H:32])([H:33])[H:34]>>[H]O[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:19]):[C:3]([O:2][C:1]([H:32])([H:33])[H:34]):[C:16]([O:17][H:31]):[C:15]([H:30]):[C:14]:1[H:29])[H:28])[H:27])=[O:9].[H][O:10][C:11]([C:12]([H:20])([H:21])[H:22])([C:13]([H:23])([H:24])[H:25])[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-R4948
[C:1]([O:2][C:3]1:[C:4]([H:19]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([H:20])([H:21])[H:22])([C:13]([H:23])([H:24])[H:25])[H:26])[H:27])[H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[O:17][H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[C:1]([O:2][C:3]1:[C:4]([H:19]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:18][H:35])[H:27])[H:28]):[C:14]([H:29]):[C:15]([H:30]):[C:16]:1[O:17][H:31])([H:32])([H:33])[H:34].[H][O:10][C:11]([C:12]([H:20])([H:21])[H:22])([C:13]([H:23])([H:24])[H:25])[H:26]