SMIRKS
N#[C:3][C:2]([C:1]([H:18])([H:19])[H:20])([C:5]([C:6]([C:7]#N)([H:13])[H:14])([H:15])[H:16])[H:17]>>[H]O[C:3](=O)[C:2]([C:1]([H:18])([H:19])[H:20])([C:5]([C:6]([C:7](=O)O[H])([H:13])[H:14])([H:15])[H:16])[H:17]
Derived Operators
EVODEX.1-F545 - Elemental Balance
| N | -2 |
| O | 4 |
| H | 2 |
EVODEX.1-M516 - Mass Difference
37.989059999999995
EVODEX.1-E1365 - Reaction Operator E
([#7]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7])>>([#6:2](-[#6:3])(=[#8])-[#8]-[H].[#6:7]-[#6:8](=[#8])-[#8]-[H])
EVODEX.1-C714 - Reaction Operator C
([#7]#[#6:2].[#6:8]#[#7])>>([H]-[#8]-[#6:2]=[#8].[#6:8](=[#8])-[#8]-[H])
EVODEX.1-N879 - Reaction Operator N
([#7]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:7]-[#6:8](=[#8])-[#8]-[H])
EVODEX.1-Em688 - Reaction Operator Em
([#7]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:7]-[#6:8](=[#8])-[#8]-[H])
EVODEX.1-Cm279 - Reaction Operator Cm
([#7]#[#6:2].[#6:8]#[#7])>>([#8]-[#6:2]=[#8].[#6:8](=[#8])-[#8])
EVODEX.1-Nm620 - Reaction Operator Nm
([#7]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:7]-[#6:8](=[#8])-[#8]-[H])
Source Full Reactions
EVODEX.1-R6564
[C:1]([C:2]([C:3]#[N:4])([C:5]([C:6]([C:7]#[N:8])([H:13])[H:14])([H:15])[H:16])[H:17])([H:18])([H:19])[H:20].[H][O:10][H].[H][O:11][H:23].[H][O:12][H].[H][O:9][H:27]>>[C:1]([C:2]([C:3]([O:9][H:27])=[O:12])([C:5]([C:6]([C:7](=[O:10])[O:11][H:23])([H:13])[H:14])([H:15])[H:16])[H:17])([H:18])([H:19])[H:20].[H][N:4]([H])[H].[H][N:8]([H])[H]