SMIRKS
[H][C@:6]([C:4]([O:3][C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:5])([N:7]([H:15])[H:16])[C:8]([C:9]([C:10]([H:17])([H:18])[H:19])([C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[H:25]>>O=[C:6]([C:4]([O:3][C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:5])[C:8]([C:9]([C:10]([H:17])([H:18])[H:19])([C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[H:25].[H][N:7]([H:15])[H:16]
Derived Operators
EVODEX.1-M6 - Mass Difference
15.9949
EVODEX.1-E420 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3]=[#8:4])(-[#6:6])-[H])(-[H:23])-[H:24]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8].[#7:1](-[H:23])(-[H:24])-[H]
EVODEX.1-N40 - Reaction Operator N
[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1](-[H:29])-[H:30]
EVODEX.1-Em337 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1]
EVODEX.1-Nm113 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R954
[H][C@:6]([C:4]([O:3][C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:5])([N:7]([H:15])[H:16])[C:8]([C:9]([C:10]([H:17])([H:18])[H:19])([C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[H:25].[O:13]=[O:14].[H][O:12][H]>>[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:8]([C:9]([C:10]([H:17])([H:18])[H:19])([C:11]([H:20])([H:21])[H:22])[H:23])([H:24])[H:25])=[O:12])([H:27])[H:28])([H:29])([H:30])[H:31].[H][N:7]([H:15])[H:16].[H][O:13][O:14][H]