SMIRKS
[C:1]([C:2]1=[C:3]([H:24])[C:4](=[O:5])[C:6]2:[C:7]([H:25]):[C:8]([H:26]):[C:9]([H:27]):[C:10]([H:28]):[C:11]:2[C:12]1=[O:13])([H:29])([H:30])[H:31]>>[H][C:4]1([O:5][H])[C:3]([H:24])=[C:2]([C:1]([H:29])([H:30])[H:31])[C:12](=[O:13])[C:11]2:[C:6]1:[C:7]([H:25]):[C:8]([H:26]):[C:9]([H:27]):[C:10]:2[H:28]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-N2 - Reaction Operator N
[#8:49]=[#6:50](-[#6:51])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#6:60]
EVODEX.1-Em165 - Reaction Operator Em
[#8:49]=[#6:50](-[#6:51]=[#6:52]-[#6:53]=[#8:54])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51]=[#6:52]-[#6:53]=[#8:54])-[#6:60]
EVODEX.1-Nm36 - Reaction Operator Nm
[#8:49]=[#6:50](-[#6:51])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#6:60]
Source Full Reactions
EVODEX.1-R202
[C:1]([C:2]1=[C:3]([H:24])[C:4](=[O:5])[C:6]2:[C:7]([H:25]):[C:8]([H:26]):[C:9]([H:27]):[C:10]([H:28]):[C:11]:2[C:12]1=[O:13])([H:29])([H:30])[H:31].[H][C@@:20]([C:19]([O:18][P:15](=[O:14])([O:16][H:32])[O:17][H:33])([H:39])[H:40])([O:21][H])[C:22]([O:23][H:35])([H:36])[H:37]>>[H][C:4]1([O:5][H])[C:3]([H:24])=[C:2]([C:1]([H:29])([H:30])[H:31])[C:12](=[O:13])[C:11]2:[C:6]1:[C:7]([H:25]):[C:8]([H:26]):[C:9]([H:27]):[C:10]:2[H:28].[O:14]=[P:15]([O:16][H:32])([O:17][H:33])[O:18][C:19]([C:20](=[O:21])[C:22]([O:23][H:35])([H:36])[H:37])([H:39])[H:40]