SMIRKS
N#[C:2][C:3]([C:4]([C:5]([C:6]#N)([H:12])[H:13])([H:14])[H:15])([H:16])[H:17]>>[H]O[C:2](=O)[C:3]([C:4]([C:5]([C:6](=O)O[H])([H:12])[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-R6575
[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17].[H][O:10][H].[H][O:11][H:20].[H][O:8][H].[H][O:9][H:24]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:8])[O:9][H:24])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])(=[O:10])[O:11][H:20].[H][N:1]([H])[H].[H][N:7]([H])[H]