SMIRKS
[N:1]#[C:2][C:3]([C:4]([O:5][H:13])([C:6]([C:7]#[N:8])([H:14])[H:15])[H:16])([H:17])[H:18].[H][O:11][H:21].[H][O:12][H]>>[H]O[C:2]([C:3]([C:4]([O:5][H:13])([C:6]([C:7](=O)[O:11][H:21])([H:14])[H:15])[H:16])([H:17])[H:18])=[O:12].[H][N:1]([H])[H].[H][N:8]([H])[H]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E870 - Reaction Operator E
([#7:1]#[#6:2]-[#6:3].[#6:7]-[#6:8]#[#7:9]).[#8:12](-[H:21])-[H].[#8:13](-[H])-[H]>>([#6:2](-[#6:3])(=[#8])-[#8:12]-[H:21].[#6:7]-[#6:8](=[#8:13])-[#8]-[H]).[#7:1](-[H])(-[H])-[H].[#7:9](-[H])(-[H])-[H]
EVODEX.1-C709 - Reaction Operator C
([#7:1]#[#6:2].[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2]=[#8:12].[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]
EVODEX.1-N874 - Reaction Operator N
([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11]-[H:21].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]-[H:21]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]
EVODEX.1-Em686 - Reaction Operator Em
([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]
EVODEX.1-Cm277 - Reaction Operator Cm
([#7:1]#[#6:2].[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([#8]-[#6:2]=[#8:12].[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]
EVODEX.1-Nm618 - Reaction Operator Nm
([#7:1]#[#6:2]-[#6:3].[#6:6]-[#6:7]#[#7:8]).[H]-[#8:11].[H]-[#8:12]-[H]>>([H]-[#8]-[#6:2](-[#6:3])=[#8:12].[#6:6]-[#6:7](=[#8])-[#8:11]).[H]-[#7:1](-[H])-[H].[H]-[#7:8](-[H])-[H]
Source Full Reactions
EVODEX.1-R6580
[N:1]#[C:2][C:3]([C:4]([O:5][H:13])([C:6]([C:7]#[N:8])([H:14])[H:15])[H:16])([H:17])[H:18].[H][O:10][H].[H][O:11][H:21].[H][O:12][H].[H][O:9][H:25]>>[C:2]([C:3]([C:4]([O:5][H:13])([C:6]([C:7](=[O:10])[O:11][H:21])([H:14])[H:15])[H:16])([H:17])[H:18])([O:9][H:25])=[O:12].[H][N:1]([H])[H].[H][N:8]([H])[H]