SMIRKS
[N:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]([H:22]):[C:7]:1[C:8](=[O:9])[C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27])([H:28])[H:29]>>[H][C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27].[H]O[C:8]([C:7]1:[C:2]([N:1]([H:28])[H:29]):[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]:1[H:22])=[O:9]
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-R6661
[N:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]([H:22]):[C:7]:1[C:8](=[O:9])[C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27])([H:28])[H:29].[H][O:18][H:30]>>[H][C:10](=[C:11]([C:12](=[C:13]([O:14][H:23])[C:15](=[O:16])[O:17][H:24])[H:25])[H:26])[H:27].[N:1]([C:2]1:[C:3]([H:19]):[C:4]([H:20]):[C:5]([H:21]):[C:6]([H:22]):[C:7]:1[C:8](=[O:9])[O:18][H:30])([H:28])[H:29]