SMIRKS
[H][C:1]([N:2]([C@@:3]([C:4]([C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([O:9][H:20]):[C:10]([H:21]):[C:11]:1[H:22])([H:23])[H:24])([C:12](=[O:13])[O:14][H:25])[H:26])[H:27])([H:28])[H:29].[O:16]=[O:17]>>O=[C:1]([H:28])[H:29].[H][N:2]([C@@:3]([C:4]([C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([O:9][H:20]):[C:10]([H:21]):[C:11]:1[H:22])([H:23])[H:24])([C:12](=[O:13])[O:14][H:25])[H:26])[H:27].[H][O:16][O:17][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E377 - Reaction Operator E
[#6:1](-[#7:2](-[#6:3])-[H:24])(-[H:25])(-[H:26])-[H].[#8:13]=[#8:14]>>[#6:1](=[#8])(-[H:25])-[H:26].[#7:2](-[#6:3])(-[H:24])-[H].[#8:13](-[#8:14]-[H])-[H]
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-N260 - Reaction Operator N
[H]-[#6:1](-[#7:2](-[#6:3])-[H:24])(-[H:25])-[H:26].[#8:13]=[#8:14]>>[#8]=[#6:1](-[H:25])-[H:26].[H]-[#7:2](-[#6:3])-[H:24].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Em381 - Reaction Operator Em
[H]-[#6:1]-[#7:2]-[#6:3].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2]-[#6:3].[H]-[#8:13]-[#8:14]-[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-Nm341 - Reaction Operator Nm
[H]-[#6:1]-[#7:2]-[#6:3].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2]-[#6:3].[H]-[#8:13]-[#8:14]-[H]
Source Full Reactions
EVODEX.1-R1097
[H][C:1]([N:2]([C@@:3]([C:4]([C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([O:9][H:20]):[C:10]([H:21]):[C:11]:1[H:22])([H:23])[H:24])([C:12](=[O:13])[O:14][H:25])[H:26])[H:27])([H:28])[H:29].[O:16]=[O:17].[H][O:15][H]>>[C:1](=[O:15])([H:28])[H:29].[H][N:2]([C@@:3]([C:4]([C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([O:9][H:20]):[C:10]([H:21]):[C:11]:1[H:22])([H:23])[H:24])([C:12](=[O:13])[O:14][H:25])[H:26])[H:27].[H][O:16][O:17][H]