SMIRKS
[H]OC(=O)[C@:5]([H])([C:4]([C:3]([C:2]([N:1]([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])[N:6]([H:12])[H:13].O=[O:10]>>[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([H:12])[H:13])=[O:10])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23]
Derived Operators
EVODEX.1-F62 - Elemental Balance
| O | -3 |
| C | -1 |
| H | -2 |
EVODEX.1-M102 - Mass Difference
-62.00035999999999
EVODEX.1-E598 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H].[#8:14]=[#8]>>[#7:2]-[#6:3](-[#6:4])=[#8:14]
EVODEX.1-N142 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Em225 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Nm224 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
Source Full Reactions
EVODEX.1-R315
[H][C@@:5]([C:4]([C:3]([C:2]([N:1]([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([N:6]([H:12])[H:13])[C:7](=[O:8])[O:9][H].[O:10]=[O:11]>>[C:7](=[O:8])=[O:9].[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([H:12])[H:13])=[O:10])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23].[H][O:11][H]