SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6](=[C:7]([O:8][H:13])[C:9](=[O:10])[O:11][H:14])[H:15])[H:16])[H:17])([H:18])([H:19])[H:20]>>[H][C:4](=[C:5]([C:6](=[C:7]([O:8][H:13])[C:9](=[O:10])[O:11][H:14])[H:15])[H:16])[H:17].[H]O[C:2]([C:1]([H:18])([H:19])[H:20])=[O:3]
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-R6672
[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6](=[C:7]([O:8][H:13])[C:9](=[O:10])[O:11][H:14])[H:15])[H:16])[H:17])([H:18])([H:19])[H:20].[H][O:12][H:21]>>[H][C:4](=[C:5]([C:6](=[C:7]([O:8][H:13])[C:9](=[O:10])[O:11][H:14])[H:15])[H:16])[H:17].[C:1]([C:2](=[O:3])[O:12][H:21])([H:18])([H:19])[H:20]