SMIRKS
[O:7]=[C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:26]):[C:17]:1[H:27])[H:28]>>[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C@@:8]([O:7][H])([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:26]):[C:17]:1[H:27])[H:28]
Derived Operators
EVODEX.1-F54 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 6 |
EVODEX.1-M213 - Mass Difference
90.03168000000001
EVODEX.1-E576 - Reaction Operator E
[#8:7]=[#6:8](-[#6:9])-[H:23]>>[#8]=[#6](-[#6@](-[#8]-[H])(-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23])-[H])-[#6](-[#8]-[H])(-[H])-[H]
EVODEX.1-C1014 - Reaction Operator C
[#8:7]=[#6:8]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:8]-[#8:7]-[H]
EVODEX.1-N1267 - Reaction Operator N
[#8:7]=[#6:8](-[#6:9])-[H:23]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23]
EVODEX.1-Em72 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
EVODEX.1-Nm86 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
Source Full Reactions
EVODEX.1-R6047
[H][C:3]([C:2](=[O:1])[C:5]([O:6][H:21])([H:22])[H:23])([O:4][H:18])[H:19].[O:7]=[C:8]([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:26]):[C:17]:1[H:27])[H:28]>>[H][O:7][C@:8]([C@:3]([C:2](=[O:1])[C:5]([O:6][H:21])([H:22])[H:23])([O:4][H:18])[H:19])([C:9]1:[C:10]([H:24]):[C:11]([H:25]):[C:12]([N+:13](=[O:14])[O-:15]):[C:16]([H:26]):[C:17]:1[H:27])[H:28]