SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])[O:6][C:4]([N:3]([C@@:2]([C:1]([H:28])([H:29])[H:30])([C:14](=[O:15])[O:16][H:26])[H:27])[H:25])=[O:5]):C([H]):C:1[H]>>[C:4](=[O:5])=[O:6].[H][N:3]([C@@:2]([C:1]([H:28])([H:29])[H:30])([C:14](=[O:15])[O:16][H:26])[H:27])[H:25]
Derived Operators
EVODEX.1-M306 - Mass Difference
-90.04698
EVODEX.1-E980 - Reaction Operator E
[#8:2]=[#6:3](-[#7:4](-[#6@@:5])-[H:34])-[#8:17]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#7:4](-[#6@@:5])(-[H:34])-[H].[#8:2]=[#6:3]=[#8:17]
EVODEX.1-C702 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8:17]-[#6:3]-[#7:4]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:4].[#6:3]=[#8:17]
EVODEX.1-N867 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8:17]-[#6:3](=[#8:2])-[#7:4](-[#6@@:5])-[H:34]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:4](-[#6@@:5])-[H:34].[#8:2]=[#6:3]=[#8:17]
EVODEX.1-Em675 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:3](=[#8:2])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5].[#8:2]=[#6:3]=[#8:17]
EVODEX.1-Nm608 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:3](=[#8:2])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5].[#8:2]=[#6:3]=[#8:17]
Source Full Reactions
EVODEX.1-R6418
[C:1]([C@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])([H:23])[H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])([H:28])([H:29])[H:30].[H][O:17][H:31]>>[C:4](=[O:5])=[O:6].[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])([O:17][H:31])([H:23])[H:24].[H][N:3]([C@@:2]([C:1]([H:28])([H:29])[H:30])([C:14](=[O:15])[O:16][H:26])[H:27])[H:25]