SMIRKS
[H][C@:2]([N:1]([H:27])[H:28])([C:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])[H:24])[C:13](=[O:14])[O:15][H:25].[O:17]=[O:18].[H][O:16][H]>>[C:2]([C:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])=[O:16].[H][N:1]([H:27])[H:28].[H][O:17][O:18][H]
Derived Operators
EVODEX.1-C29 - Reaction Operator C
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-N45 - Reaction Operator N
[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1](-[H:29])-[H:30].[H]-[#8:17]-[#8:18]-[H]
EVODEX.1-Em353 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm68 - Reaction Operator Cm
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Nm118 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1].[H]-[#8:17]-[#8:18]-[H]
Source Full Reactions
EVODEX.1-R971
[H][C@:2]([N:1]([H:27])[H:28])([C:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])[H:24])[C:13](=[O:14])[O:15][H:25].[O:17]=[O:18].[H][O:16][H]>>[C:2]([C:3]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]([N+:8](=[O:9])[O-:10]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])=[O:16].[H][N:1]([H:27])[H:28].[H][O:17][O:18][H]