SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])[O:17][C:3](=[O:2])[N:4]([C@@:5]([C:6]([C:7]2:[C:8]([H:25]):[C:9]([H:26]):[C:10]([O:11][H:27]):[C:12]([H:28]):[C:13]:2[H:29])([H:30])[H:31])([C:14](=[O:15])[O:16][H:32])[H:33])[H:34]):C([H]):C:1[H]>>[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:25]):[C:9]([H:26]):[C:10]([O:11][H:27]):[C:12]([H:28]):[C:13]:1[H:29])([H:30])[H:31])([C:14](=[O:15])[O:16][H:32])[H:33])[H:34].[O:2]=[C:3]=[O:17]
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-R6457
[O:2]=[C:3]([N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:25]):[C:9]([H:26]):[C:10]([O:11][H:27]):[C:12]([H:28]):[C:13]:1[H:29])([H:30])[H:31])([C:14](=[O:15])[O:16][H:32])[H:33])[H:34])[O:17][C:18]([C:19]1:[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]([H:38]):[C:24]:1[H:39])([H:40])[H:41].[H][O:1][H:42]>>[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:25]):[C:9]([H:26]):[C:10]([O:11][H:27]):[C:12]([H:28]):[C:13]:1[H:29])([H:30])[H:31])([C:14](=[O:15])[O:16][H:32])[H:33])[H:34].[O:2]=[C:3]=[O:17].[O:1]([C:18]([C:19]1:[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]([H:38]):[C:24]:1[H:39])([H:40])[H:41])[H:42]