SMIRKS
[N:1]([C:2]([C:3]([O:4][H:18])([H:19])[H:20])([C:5](=[O:6])[N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:23]):[C:16]:1[H:24])[H:25])[H:26])([H:27])[H:28].[H][O:17][H:29]>>[N:1]([C@@:2]([C:3]([O:4][H:18])([H:19])[H:20])([C:5](=[O:6])[O:17][H:29])[H:26])([H:27])[H:28].[H][N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:23]):[C:16]:1[H:24])[H:25]
Derived Operators
EVODEX.1-E250 - Reaction Operator E
[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414].[#8:221](-[H:429])-[H]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8:221]-[H:429])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]
EVODEX.1-C908 - Reaction Operator C
[#6:13](-[#6@:12])-[#7:15].[H]-[#8:1]>>[H]-[#7:15].[#8:1]-[#6:13]-[#6@@:12]
EVODEX.1-N1140 - Reaction Operator N
[#7:8]-[#6@@:12](-[#6:11])(-[#6:13](=[#8:14])-[#7:15](-[#6:16])-[H:47])-[H:48].[H]-[#8:1]-[H:59]>>[H]-[#7:15](-[#6:16])-[H:47].[#8:1](-[#6:13](-[#6@@:12](-[H:48])(-[#7:8])-[#6:11])=[#8:14])-[H:59]
EVODEX.1-Em51 - Reaction Operator Em
[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]
EVODEX.1-Nm49 - Reaction Operator Nm
[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]
Source Full Reactions
EVODEX.1-R5488
[N:1]([C:2]([C:3]([O:4][H:18])([H:19])[H:20])([C:5](=[O:6])[N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:23]):[C:16]:1[H:24])[H:25])[H:26])([H:27])[H:28].[H][O:17][H:29]>>[N:1]([C@@:2]([C:3]([O:4][H:18])([H:19])[H:20])([C:5](=[O:6])[O:17][H:29])[H:26])([H:27])[H:28].[H][N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:23]):[C:16]:1[H:24])[H:25]