SMIRKS
N#[C:2][C:3]([C:4]([O:5][H:13])([C:6]([C:7]#N)([H:14])[H:15])[H:16])([H:17])[H:18]>>[H]O[C:2](=O)[C:3]([C:4]([O:5][H:13])([C:6]([C:7](=O)O[H])([H:14])[H:15])[H:16])([H:17])[H:18]
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-R6580
[N:1]#[C:2][C:3]([C:4]([O:5][H:13])([C:6]([C:7]#[N:8])([H:14])[H:15])[H:16])([H:17])[H:18].[H][O:10][H].[H][O:11][H:21].[H][O:12][H].[H][O:9][H:25]>>[C:2]([C:3]([C:4]([O:5][H:13])([C:6]([C:7](=[O:10])[O:11][H:21])([H:14])[H:15])[H:16])([H:17])[H:18])([O:9][H:25])=[O:12].[H][N:1]([H])[H].[H][N:8]([H])[H]