SMIRKS
[N:1]#[C:2][C:3]([N:4]([C:5]([C:6]#[N:7])([H:12])[H:13])[H:14])([H:15])[H:16].[H][O:11][H:19].[H][O:8][H]>>[H]O[C:6]([C:5]([N:4]([C:3]([C:2](=O)[O:11][H:19])([H:15])[H:16])[H:14])([H:12])[H:13])=[O:8].[H][N:1]([H])[H].[H][N:7]([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-R6567
[N:1]#[C:2][C:3]([N:4]([C:5]([C:6]#[N:7])([H:12])[H:13])[H:14])([H:15])[H:16].[H][O:10][H].[H][O:11][H:19].[H][O:8][H].[H][O:9][H:23]>>[C:2]([C:3]([N:4]([C:5]([C:6](=[O:8])[O:9][H:23])([H:12])[H:13])[H:14])([H:15])[H:16])(=[O:10])[O:11][H:19].[H][N:1]([H])[H].[H][N:7]([H])[H]