SMIRKS
[H]O[C:7]([C:6]([C@:5]([N:4]([C:2]([N:1]([H])[H:19])=[O:3])[H:18])([C:10](=[O:11])[O:12][H:16])[H:17])([H:14])[H:15])=[O:8]>>[N:1]1([H:19])[C:2](=[O:3])[N:4]([H:18])[C@@:5]([C:10](=[O:11])[O:12][H:16])([H:17])[C:6]([H:14])([H:15])[C:7]1=[O:8]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E479 - Reaction Operator E
([#7:1](-[#6@:2])(-[H:18])-[H].[#6:4]-[#6:5](=[#8:6])-[#8]-[H])>>[#7:1](-[H:18])(-[#6@:2])-[#6:5](-[#6:4])=[#8:6]
EVODEX.1-N1841 - Reaction Operator N
[H]-[#8]-[#6:7](-[#6:6]-[#6@:5](-[#7:4]-[#6:2]-[#7:1](-[H])-[H:19])(-[#6:10])-[H:17])=[#8:8]>>[#7:1]1(-[H:19])-[#6:2]-[#7:4]-[#6@@:5](-[#6:10])(-[H:17])-[#6:6]-[#6:7]-1=[#8:8]
EVODEX.1-Em476 - Reaction Operator Em
([H]-[#8]-[#6:7](-[#6:6])=[#8:8].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:7](-[#6:6])=[#8:8]
EVODEX.1-Nm427 - Reaction Operator Nm
([H]-[#8]-[#6:7](-[#6:6])=[#8:8].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:7](-[#6:6])=[#8:8]
Source Full Reactions
EVODEX.1-R6535
[H][N:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7](=[O:8])[O:9][H:13])([H:14])[H:15])([C:10](=[O:11])[O:12][H:16])[H:17])[H:18])[H:19]>>[N:1]1([H:19])[C:2](=[O:3])[N:4]([H:18])[C@@:5]([C:10](=[O:11])[O:12][H:16])([H:17])[C:6]([H:14])([H:15])[C:7]1=[O:8].[H][O:9][H:13]