SMIRKS
N#[C:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([C:8]#N):[C:10]:1[H:18]>>[H]O[C:2](=O)[C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([C:8](=O)O[H]):[C:10]:1[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-R6600
[N:1]#[C:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([C:8]#[N:9]):[C:10]:1[H:18].[H][O:11][H].[H][O:12][H:21].[H][O:13][H].[H][O:14][H:25]>>[C:2]([C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([C:8](=[O:13])[O:14][H:25]):[C:10]:1[H:18])(=[O:11])[O:12][H:21].[H][N:1]([H])[H].[H][N:9]([H])[H]