SMIRKS
[O:2]=[C:3]([O:4][H:19])[C:5]([O:6][H:20])=[C:7]([C:8](=[C:9]([C:10](=[O:11])[C:12]1:[C:13]([H:21]):[C:14]([H:22]):[C:15]([H:23]):[C:16]([Cl:17]):[C:18]:1[H:24])[H:25])[H:26])[H:27]>>[H][C:9](=[C:8]([C:7](=[C:5]([C:3](=[O:2])[O:4][H:19])[O:6][H:20])[H:27])[H:26])[H:25].[H]O[C:10](=[O:11])[C:12]1:[C:13]([H:21]):[C:14]([H:22]):[C:15]([H:23]):[C:16]([Cl:17]):[C:18]:1[H:24]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E401 - Reaction Operator E
[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:9](-[#6:10](=[#8:11])-[#6:12])-[H:25]>>[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:9](-[H:25])-[H].[#8](-[#6:10](=[#8:11])-[#6:12])-[H]
EVODEX.1-N888 - Reaction Operator N
[#6:8]=[#6:10](-[#6:11](=[#8:12])-[#6:13])-[H:27]>>[H]-[#6:10](=[#6:8])-[H:27].[H]-[#8]-[#6:11](=[#8:12])-[#6:13]
EVODEX.1-Em700 - Reaction Operator Em
[#8:2]=[#6:3]-[#6:5]=[#6:7]-[#6:8]=[#6:10]-[#6:11](=[#8:12])-[#6:13]>>[H]-[#6:10]=[#6:8]-[#6:7]=[#6:5]-[#6:3]=[#8:2].[H]-[#8]-[#6:11](=[#8:12])-[#6:13]
EVODEX.1-Nm629 - Reaction Operator Nm
[#6:8]=[#6:10]-[#6:11](=[#8:12])-[#6:13]>>[H]-[#6:10]=[#6:8].[H]-[#8]-[#6:11](=[#8:12])-[#6:13]
Source Full Reactions
EVODEX.1-R6692
[O:2]=[C:3]([O:4][H:19])[C:5]([O:6][H:20])=[C:7]([C:8](=[C:9]([C:10](=[O:11])[C:12]1:[C:13]([H:21]):[C:14]([H:22]):[C:15]([H:23]):[C:16]([Cl:17]):[C:18]:1[H:24])[H:25])[H:26])[H:27].[H][O:1][H:28]>>[H][C:9](=[C:8]([C:7](=[C:5]([C:3](=[O:2])[O:4][H:19])[O:6][H:20])[H:27])[H:26])[H:25].[O:1]([C:10](=[O:11])[C:12]1:[C:13]([H:21]):[C:14]([H:22]):[C:15]([H:23]):[C:16]([Cl:17]):[C:18]:1[H:24])[H:28]