SMIRKS
N#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]#N)([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[C:2](=O)[C:3]([C:4]([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]
Derived Operators
EVODEX.1-F441 - Elemental Balance
| N | -2 |
| O | 2 |
| H | -2 |
EVODEX.1-M424 - Mass Difference
1.9679399999999991
EVODEX.1-E1250 - Reaction Operator E
([#7]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7]).[#8:11](-[H])-[H].[#8:12](-[H:21])-[H]>>([#6:2](-[#6:3])(=[#8:11])-[#8:12]-[H:21].[#6:7]-[#6:8](=[#8])-[#8]-[H])
EVODEX.1-C710 - Reaction Operator C
([#7]#[#6:2].[#6:10]#[#7]).[H]-[#8:13]-[H].[H]-[#8:14]>>([H]-[#8]-[#6:10]=[#8].[#6:2](=[#8:13])-[#8:14])
EVODEX.1-N875 - Reaction Operator N
([#7]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7]).[H]-[#8:13]-[H].[H]-[#8:14]-[H:27]>>([H]-[#8]-[#6:10](=[#8])-[#6:9].[#6:3]-[#6:2](=[#8:13])-[#8:14]-[H:27])
EVODEX.1-Em687 - Reaction Operator Em
([#7]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7]).[H]-[#8:13]-[H].[H]-[#8:14]>>([H]-[#8]-[#6:10](=[#8])-[#6:9].[#6:3]-[#6:2](=[#8:13])-[#8:14])
EVODEX.1-Cm278 - Reaction Operator Cm
([#7]#[#6:2].[#6:10]#[#7]).[H]-[#8:13]-[H].[H]-[#8:14]>>([#8]-[#6:10]=[#8].[#6:2](=[#8:13])-[#8:14])
EVODEX.1-Nm619 - Reaction Operator Nm
([#7]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7]).[H]-[#8:13]-[H].[H]-[#8:14]>>([H]-[#8]-[#6:10](=[#8])-[#6:9].[#6:3]-[#6:2](=[#8:13])-[#8:14])
Source Full Reactions
EVODEX.1-R6557
[N:1]#[C:2][C:3]([C: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:2]([C:3]([C:4]([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])([O:9][H:27])=[O:12].[H][N:1]([H])[H].[H][N:8]([H])[H]