SMIRKS
[H]N([H])[C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26].[H][O:16][H]>>[C:2](=[O:3])=[O:16].[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E630 - Reaction Operator E
[#7](-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[H:16])(-[H])-[H].[#8:10](-[H])-[H]>>[#6:2](=[#8:3])=[#8:10].[#7:4](-[#6:5])(-[H:16])-[H]
EVODEX.1-C134 - Reaction Operator C
[H]-[#7](-[H])-[#6:2]-[#7:4].[H]-[#8:19]-[H]>>[#6:2]=[#8:19].[H]-[#7:4]
EVODEX.1-N842 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4](-[#6@:5])-[H:30].[H]-[#8:19]-[H]>>[#6:2](=[#8:3])=[#8:19].[H]-[#7:4](-[#6@:5])-[H:30]
EVODEX.1-Em663 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4]-[#6:5].[H]-[#8:19]-[H]>>[#6:2](=[#8:3])=[#8:19].[H]-[#7:4]-[#6:5]
EVODEX.1-Nm596 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](=[#8:3])-[#7:4]-[#6:5].[H]-[#8:19]-[H]>>[#6:2](=[#8:3])=[#8:19].[H]-[#7:4]-[#6:5]
Source Full Reactions
EVODEX.1-R6429
[N:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26])([H:27])[H:28].[H][O:16][H]>>[C:2](=[O:3])=[O:16].[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26].[H][N:1]([H:27])[H:28]