SMIRKS
[H][C:4]([C:3]([C@:2]([N:1]([H:29])[H:30])([C:8](=[O:9])[O:10][H:27])[H:28])([H:25])[H:26])([C:5](=[O:6])[O:7][H:22])[H:23].[O:11]=[C:12]([O:13][H:31])[C:14](=[O:15])[C:16]([C:17]([O:18][H:32])([C:19](=[O:20])[O:21][H:33])[H:34])([H:35])[H:36]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:22])([O:18][H:32])[H:23])([H:25])[H:26])([C:8](=[O:9])[O:10][H:27])[H:28])([H:29])[H:30].[H][C:17]([C:16]([C:14]([C:12](=[O:11])[O:13][H:31])=[O:15])([H:35])[H:36])([C:19](=[O:20])[O:21][H:33])[H:34]
Derived Operators
EVODEX.1-E240 - Reaction Operator E
[#6:4]-[#6:5](-[#6:6])(-[H:103])-[H].[#6:59]-[#6@@:60](-[#8:61]-[H:114])(-[#6:62])-[H:116]>>[#6:4]-[#6@:5](-[#6:6])(-[#8:61]-[H:114])-[H:103].[#6:59]-[#6:60](-[#6:62])(-[H:116])-[H]
EVODEX.1-C1287 - Reaction Operator C
([H]-[#6:4].[#6@:2]).[#6:17]-[#8:18]>>([#6:4]-[#8:18].[#6@@:2]).[H]-[#6:17]
EVODEX.1-N1603 - Reaction Operator N
[H]-[#6:4](-[#6:3]-[#6@:2](-[#7:1])(-[#6:8])-[H:28])(-[#6:5])-[H:23].[#6:16]-[#6:17](-[#8:18]-[H:32])(-[#6:19])-[H:34]>>[#7:1]-[#6@@:2](-[#6:3]-[#6:4](-[#6:5])(-[#8:18]-[H:32])-[H:23])(-[#6:8])-[H:28].[H]-[#6:17](-[#6:16])(-[#6:19])-[H:34]
EVODEX.1-Em546 - Reaction Operator Em
[H]-[#6:5](-[#6:4])-[#6:6].[#6:59]-[#6:60](-[#8:61])-[#6:62]>>[#6:4]-[#6:5](-[#6:6])-[#8:61].[H]-[#6:60](-[#6:59])-[#6:62]
EVODEX.1-Nm493 - Reaction Operator Nm
[H]-[#6:5](-[#6:4])-[#6:6].[#6:59]-[#6:60](-[#8:61])-[#6:62]>>[#6:4]-[#6:5](-[#6:6])-[#8:61].[H]-[#6:60](-[#6:59])-[#6:62]
Source Full Reactions
EVODEX.1-R3616
[H][C:4]([C:3]([C@:2]([N:1]([H:29])[H:30])([C:8](=[O:9])[O:10][H:27])[H:28])([H:25])[H:26])([C:5](=[O:6])[O:7][H:22])[H:23].[O:11]=[C:12]([O:13][H:31])[C:14](=[O:15])[C:16]([C:17]([O:18][H:32])([C:19](=[O:20])[O:21][H:33])[H:34])([H:35])[H:36]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:22])([O:18][H:32])[H:23])([H:25])[H:26])([C:8](=[O:9])[O:10][H:27])[H:28])([H:29])[H:30].[H][C:17]([C:16]([C:14]([C:12](=[O:11])[O:13][H:31])=[O:15])([H:35])[H:36])([C:19](=[O:20])[O:21][H:33])[H:34]