SMIRKS
[C:1]([O:2][C:3]1:[C:4]([H:17]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([N:8]([C:9]([C:10]([H:20])([H:21])[H:22])=[O:11])[H:23]):[C:12]:1[N+:13](=[O:14])[O-:15])([H:24])([H:25])[H:26]>>[H]O[C:9]([C:10]([H:20])([H:21])[H:22])=[O:11].[H][N:8]([C:7]1:[C:6]([H:19]):[C:5]([H:18]):[C:4]([H:17]):[C:3]([O:2][C:1]([H:24])([H:25])[H:26]):[C:12]:1[N+:13](=[O:14])[O-:15])[H:23]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E356 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-N727 - Reaction Operator N
[#6:6]-[#6:7](=[#8:8])-[#7:9](-[#6@@:10])-[H:31]>>[H]-[#8]-[#6:7](-[#6:6])=[#8:8].[H]-[#7:9](-[#6@@:10])-[H:31]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6243
[C:1]([O:2][C:3]1:[C:4]([H:17]):[C:5]([H:18]):[C:6]([H:19]):[C:7]([N:8]([C:9]([C:10]([H:20])([H:21])[H:22])=[O:11])[H:23]):[C:12]:1[N+:13](=[O:14])[O-:15])([H:24])([H:25])[H:26].[H][O:16][H:27]>>[C:9]([C:10]([H:20])([H:21])[H:22])(=[O:11])[O:16][H:27].[H][N:8]([C:7]1:[C:6]([H:19]):[C:5]([H:18]):[C:4]([H:17]):[C:3]([O:2][C:1]([H:24])([H:25])[H:26]):[C:12]:1[N+:13](=[O:14])[O-:15])[H:23]