SMIRKS
[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([C:9](=[O:10])[O:11][C:12]2:[C:13]([H:28]):[C:14]([H:29]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:30]):[C:20]:2[H:31]):[C:21]([H:32]):[C:22]:1[H:33])[H:34])[H:35]>>[H]O[C:9]([C:8]1:[C:7]([H:27]):[C:6]([H:26]):[C:5]([N:4]([C:2](=[N:1][H:35])[N:3]([H:24])[H:25])[H:34]):[C:22]([H:33]):[C:21]:1[H:32])=[O:10].[H][O:11][C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:30]):[C:20]:1[H:31]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E357 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H].[#8:4](-[#6:5])-[H]
EVODEX.1-N54 - Reaction Operator N
[#6:19](-[#6@:17])(=[#8:20])-[#8:21]-[#6@:22]>>[H]-[#8]-[#6:19](-[#6@:17])=[#8:20].[H]-[#8:21]-[#6@:22]
EVODEX.1-Em593 - Reaction Operator Em
[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]
EVODEX.1-Nm148 - Reaction Operator Nm
[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]
Source Full Reactions
EVODEX.1-R4900
[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([C:9](=[O:10])[O:11][C:12]2:[C:13]([H:28]):[C:14]([H:29]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:30]):[C:20]:2[H:31]):[C:21]([H:32]):[C:22]:1[H:33])[H:34])[H:35].[H][O:23][H:36]>>[N:1](=[C:2]([N:3]([H:24])[H:25])[N:4]([C:5]1:[C:6]([H:26]):[C:7]([H:27]):[C:8]([C:9](=[O:10])[O:23][H:36]):[C:21]([H:32]):[C:22]:1[H:33])[H:34])[H:35].[H][O:11][C:12]1:[C:13]([H:28]):[C:14]([H:29]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:30]):[C:20]:1[H:31]