SMIRKS
N#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]#N)([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26]>>[H]O[C:2](=O)[C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=O)O[H])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26]
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-R6574
[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]#[N:10])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26].[H][O:11][H].[H][O:12][H:29].[H][O:13][H].[H][O:14][H:33]>>[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[O:13])[O:14][H:33])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])(=[O:11])[O:12][H:29].[H][N:10]([H])[H].[H][N:1]([H])[H]