SMIRKS
[C:1]([C@:2]([N:3]([C:4]([N:5]([H:11])[H:12])=[O:6])[H:13])([C:7](=[O:8])[O:9][H:14])[H:15])([H:16])([H:17])[H:18]>>O=[C:4]=[O:6].[H][N:3]([C@@:2]([C:1]([H:16])([H:17])[H:18])([C:7](=[O:8])[O:9][H:14])[H:15])[H:13].[H][N:5]([H:11])[H:12]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E366 - Reaction Operator E
[#7:1](-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[H:16])(-[H:17])-[H:18]>>[#6:2](=[#8:3])=[#8].[#7:4](-[#6:5])(-[H:16])-[H].[#7:1](-[H:17])(-[H:18])-[H]
EVODEX.1-C1440 - Reaction Operator C
[#7:3](-[#6@:2])-[#6:4]-[#7:5]>>[#8]=[#6:4].[H]-[#7:3]-[#6@@:2].[H]-[#7:5]
EVODEX.1-N1837 - Reaction Operator N
[#6:1]-[#6@:2](-[#7:3](-[#6:4](-[#7:5](-[H:11])-[H:12])=[#8:6])-[H:13])(-[#6:7])-[H:15]>>[#8]=[#6:4]=[#8:6].[H]-[#7:3](-[#6@@:2](-[#6:1])(-[#6:7])-[H:15])-[H:13].[H]-[#7:5](-[H:11])-[H:12]
EVODEX.1-Em673 - Reaction Operator Em
[#7:1]-[#6:2](=[#8:3])-[#7:4]-[#6:5]>>[#8]=[#6:2]=[#8:3].[H]-[#7:4]-[#6:5].[H]-[#7:1]
EVODEX.1-Nm606 - Reaction Operator Nm
[#7:1]-[#6:2](=[#8:3])-[#7:4]-[#6:5]>>[#8]=[#6:2]=[#8:3].[H]-[#7:4]-[#6:5].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R6428
[C:1]([C@:2]([N:3]([C:4]([N:5]([H:11])[H:12])=[O:6])[H:13])([C:7](=[O:8])[O:9][H:14])[H:15])([H:16])([H:17])[H:18].[H][O:10][H]>>[C:4](=[O:6])=[O:10].[H][N:3]([C@@:2]([C:1]([H:16])([H:17])[H:18])([C:7](=[O:8])[O:9][H:14])[H:15])[H:13].[H][N:5]([H:11])[H:12]