SMIRKS
[H][C@@:5]([C:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:13])([H:14])[H:15])[H:22])([H:20])[H:21])([N:6]([H:16])[H:17])[C:7](=[O:8])[O:9][H:18].[O:11]=[O:12]>>O=[C:5]([C:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:13])([H:14])[H:15])[H:22])([H:20])[H:21])[C:7](=[O:8])[O:9][H:18].[H][N:6]([H:16])[H:17].[H][O:11][O:12][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C28 - Reaction Operator C
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-N43 - Reaction Operator N
[H]-[#6@:2](-[#6:1])(-[#7:3](-[H:17])-[H:18])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3](-[H:17])-[H:18].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-Em344 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm67 - Reaction Operator Cm
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Nm116 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])(-[#7:3])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3].[H]-[#8:15]-[#8:16]-[H]
Source Full Reactions
EVODEX.1-R943
[H][C@@:5]([C:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:13])([H:14])[H:15])[H:22])([H:20])[H:21])([N:6]([H:16])[H:17])[C:7](=[O:8])[O:9][H:18].[O:11]=[O:12].[H][O:10][H]>>[C:1]([C:2]([C:3]([H:13])([H:14])[H:15])([C:4]([C:5]([C:7](=[O:8])[O:9][H:18])=[O:10])([H:20])[H:21])[H:22])([H:23])([H:24])[H:25].[H][N:6]([H:16])[H:17].[H][O:11][O:12][H]