SMIRKS
N#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]#N)([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23].[H][O:10][H].[H][O:11][H:26]>>[H]O[C:8](=O)[C:7]([C:6]([C:5]([C:4]([C:3]([C:2](=[O:10])[O:11][H:26])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15]
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-R6572
[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]#[N:9])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23].[H][O:10][H].[H][O:11][H:26].[H][O:12][H].[H][O:13][H:30]>>[C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:12])[O:13][H:30])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])(=[O:10])[O:11][H:26].[H][N:1]([H])[H].[H][N:9]([H])[H]