SMIRKS
[H]ON([H])[C:8]([C@@:2]([N:1]([H:21])[H:22])([C:3]([C:4]([C:5](=[O:6])[O:7][H:13])([H:14])[H:15])([H:16])[H:17])[H:20])=[O:9].[H][O:12][H:23]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:13])([H:14])[H:15])([H:16])[H:17])([C:8](=[O:9])[O:12][H:23])[H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F168 - Elemental Balance
| O | -1 |
| N | -1 |
| H | -3 |
EVODEX.1-M261 - Mass Difference
-33.02149
EVODEX.1-E834 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#8]-[H])-[H].[#8:7](-[H:15])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:15]
EVODEX.1-N1150 - Reaction Operator N
[H]-[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]-[H:12]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]-[H:12]
EVODEX.1-Em659 - Reaction Operator Em
[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]
EVODEX.1-Nm592 - Reaction Operator Nm
[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]
Source Full Reactions
EVODEX.1-R6187
[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:13])([H:14])[H:15])([H:16])[H:17])([C:8](=[O:9])[N:10]([O:11][H:18])[H:19])[H:20])([H:21])[H:22].[H][O:12][H:23]>>[H][N:10]([O:11][H:18])[H:19].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:13])([H:14])[H:15])([H:16])[H:17])([C:8](=[O:9])[O:12][H:23])[H:20])([H:21])[H:22]