SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])[O:10][C:8]([N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29])=[O:9]):C([H]):C:1[H]>>[C:8](=[O:9])=[O:10].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]
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-R6452
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[H][O:21][H:38]>>[C:8](=[O:9])=[O:10].[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([O:21][H:38])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]