SMIRKS
[H]N([H])[C:2](=[O:3])[N:4]([C@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30].[H][O:19][H]>>[C:2](=[O:3])=[O:19].[H][N:4]([C@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30]
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-R6468
[N:1]([C:2](=[O:3])[N:4]([C@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30])([H:31])[H:32].[H][O:19][H]>>[C:2](=[O:3])=[O:19].[H][N:4]([C@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30].[H][N:1]([H:31])[H:32]