SMIRKS
[H]OC(=O)[C@:2]([H])([C:1]([H:13])([H:14])[H:15])[N:3]([H:9])[H:10].O=[O:7]>>[C:1]([C:2]([N:3]([H:9])[H:10])=[O:7])([H:13])([H:14])[H:15]
Derived Operators
EVODEX.1-F62 - Elemental Balance
O | -3 |
C | -1 |
H | -2 |
EVODEX.1-M102 - Mass Difference
-62.00035999999999
EVODEX.1-E598 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H].[#8:14]=[#8]>>[#7:2]-[#6:3](-[#6:4])=[#8:14]
EVODEX.1-N142 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Em225 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Nm224 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
Source Full Reactions
EVODEX.1-R322
[H][C@@:2]([C:1]([H:13])([H:14])[H:15])([N:3]([H:9])[H:10])[C:4](=[O:5])[O:6][H].[O:7]=[O:8]>>[C:4](=[O:5])=[O:6].[C:1]([C:2]([N:3]([H:9])[H:10])=[O:7])([H:13])([H:14])[H:15].[H][O:8][H]