SMIRKS
[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[C:2](=O)[C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=O)O[H])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23].[H][N:1]([H])[H].[H][N:9]([H])[H]
Derived Operators
EVODEX.1-M515 - Mass Difference
72.04223999999999
EVODEX.1-E1364 - Reaction Operator E
([#7:1]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7:9])>>([#6:2](-[#6:3])(=[#8])-[#8]-[H].[#6:7]-[#6:8](=[#8])-[#8]-[H]).[#7:1](-[H])(-[H])-[H].[#7:9](-[H])(-[H])-[H]
EVODEX.1-C715 - Reaction Operator C
([#7:1]#[#6:2].[#6:10]#[#7:11])>>([H]-[#8]-[#6:2]=[#8].[#6:10](=[#8])-[#8]-[H]).[H]-[#7:11](-[H])-[H].[H]-[#7:1](-[H])-[H]
EVODEX.1-N880 - Reaction Operator N
([#7:1]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7:11])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:9]-[#6:10](=[#8])-[#8]-[H]).[H]-[#7:11](-[H])-[H].[H]-[#7:1](-[H])-[H]
EVODEX.1-Em692 - Reaction Operator Em
([#7:1]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7:11])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:9]-[#6:10](=[#8])-[#8]-[H]).[H]-[#7:11](-[H])-[H].[H]-[#7:1](-[H])-[H]
EVODEX.1-Cm280 - Reaction Operator Cm
([#7:1]#[#6:2].[#6:10]#[#7:11])>>([#8]-[#6:2]=[#8].[#6:10](=[#8])-[#8]).[H]-[#7:11](-[H])-[H].[H]-[#7:1](-[H])-[H]
EVODEX.1-Nm621 - Reaction Operator Nm
([#7:1]#[#6:2]-[#6:3].[#6:9]-[#6:10]#[#7:11])>>([H]-[#8]-[#6:2](=[#8])-[#6:3].[#6:9]-[#6:10](=[#8])-[#8]-[H]).[H]-[#7:11](-[H])-[H].[H]-[#7:1](-[H])-[H]
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]