SMIRKS
[H]N([H])[C:2](=[O:3])[N:4]([C@@:5]([C:6](=[O:7])[O:8][H:17])([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([O:13][H:20]):[C:14]([H:21]):[C:15]:1[H:22])[H:23])[H:24]>>O=[C:2]=[O:3].[H][N:4]([C@@:5]([C:6](=[O:7])[O:8][H:17])([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([O:13][H:20]):[C:14]([H:21]):[C:15]:1[H:22])[H:23])[H:24]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E639 - Reaction Operator E
[#7](-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[H:16])(-[H])-[H]>>[#6:2](=[#8:3])=[#8].[#7:4](-[#6:5])(-[H:16])-[H]
EVODEX.1-N844 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[H:16]>>[#8]=[#6:2]=[#8:3].[H]-[#7:4](-[#6:5])-[H:16]
EVODEX.1-Em665 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4]-[#6:5]>>[#8]=[#6:2]=[#8:3].[H]-[#7:4]-[#6:5]
EVODEX.1-Nm598 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4]-[#6:5]>>[#8]=[#6:2]=[#8:3].[H]-[#7:4]-[#6:5]
Source Full Reactions
EVODEX.1-R6464
[N:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6](=[O:7])[O:8][H:17])([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([O:13][H:20]):[C:14]([H:21]):[C:15]:1[H:22])[H:23])[H:24])([H:25])[H:26].[H][O:16][H]>>[C:2](=[O:3])=[O:16].[H][N:4]([C@@:5]([C:6](=[O:7])[O:8][H:17])([C:9]1:[C:10]([H:18]):[C:11]([H:19]):[C:12]([O:13][H:20]):[C:14]([H:21]):[C:15]:1[H:22])[H:23])[H:24].[H][N:1]([H:25])[H:26]