SMIRKS
[O:2]=[C:3]([O:4][H:24])[C@@:5]1([H:25])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:2[N+:15](=[O:16])[O-:17])([H:30])[C@@:18]([O:19][H:31])([H:32])[C@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36].[H][O:1][H:37]>>[O:1]([C:7]1([H:30])[O:6][C@@:5]([C:3](=[O:2])[O:4][H:24])([H:25])[C@:22]([O:23][H:35])([H:36])[C@@:20]([O:21][H:33])([H:34])[C@:18]1([O:19][H:31])[H:32])[H:37].[H][O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[N+:15](=[O:16])[O-:17]
Derived Operators
EVODEX.1-C81 - Reaction Operator C
[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]
EVODEX.1-N629 - Reaction Operator N
[#8:6]1-[#6@@:5]-[#6@:22](-[#6@@:20](-[#6@:18](-[#6@@:7]-1(-[#8:8]-[#6:9])-[H:30])(-[#8:19])-[H:32])(-[#8:21])-[H:34])(-[#8:23])-[H:36].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:7]1(-[H:30])-[#8:6]-[#6@@:5]-[#6@:22](-[#8:23])(-[H:36])-[#6@@:20](-[#8:21])(-[H:34])-[#6@:18]-1(-[#8:19])-[H:32])-[H:37].[H]-[#8:8]-[#6:9]
EVODEX.1-Em32 - Reaction Operator Em
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
EVODEX.1-Nm33 - Reaction Operator Nm
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
Source Full Reactions
EVODEX.1-R5313
[O:2]=[C:3]([O:4][H:24])[C@@:5]1([H:25])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:2[N+:15](=[O:16])[O-:17])([H:30])[C@@:18]([O:19][H:31])([H:32])[C@:20]([O:21][H:33])([H:34])[C@@:22]1([O:23][H:35])[H:36].[H][O:1][H:37]>>[O:1]([C:7]1([H:30])[O:6][C@@:5]([C:3](=[O:2])[O:4][H:24])([H:25])[C@:22]([O:23][H:35])([H:36])[C@@:20]([O:21][H:33])([H:34])[C@:18]1([O:19][H:31])[H:32])[H:37].[H][O:8][C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([H:28]):[C:13]([H:29]):[C:14]:1[N+:15](=[O:16])[O-:17]