SMIRKS
[H]N([H])[C:2]([H])([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:18]):[C:12]:1[H:19])([H:20])[H:21])[H:22].[O:14]=[O:15].[H][O:13][H]>>[C:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:18]):[C:12]:1[H:19])([H:20])[H:21])(=[O:13])[H:22].[H][O:14][O:15][H]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E628 - Reaction Operator E
[#6:2]-[#6:4](-[#7](-[H])-[H])(-[H:12])-[H].[#8:7]=[#8:8].[#8:6](-[H])-[H]>>[#6:2]-[#6:4](=[#8:6])-[H:12].[#8:7](-[#8:8]-[H])-[H]
EVODEX.1-C62 - Reaction Operator C
[H]-[#7](-[H])-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-N236 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3])-[H:22].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2](-[#6:3])(=[#8:9])-[H:22].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Em351 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])-[#6:3].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2](-[#6:3])=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Cm99 - Reaction Operator Cm
[#7]-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Nm318 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])-[#6:3].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2](-[#6:3])=[#8:9].[H]-[#8:10]-[#8:11]-[H]
Source Full Reactions
EVODEX.1-R1011
[H][C:2]([N:1]([H:24])[H:25])([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:18]):[C:12]:1[H:19])([H:20])[H:21])[H:22].[O:14]=[O:15].[H][O:13][H]>>[C:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:18]):[C:12]:1[H:19])([H:20])[H:21])(=[O:13])[H:22].[H][N:1]([H:24])[H:25].[H][O:14][O:15][H]