SMIRKS
[H]OC(=O)[C@:7]([H])([C:6]([C:5]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])[H:26])([H:24])[H:25])([H:22])[H:23])[N:8]([H:18])[H:19]>>O=[C:7]([C:6]([C:5]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])[H:26])([H:24])[H:25])([H:22])[H:23])[N:8]([H:18])[H:19]
Derived Operators
EVODEX.1-F63 - Elemental Balance
| O | -1 |
| C | -1 |
| H | -2 |
EVODEX.1-M103 - Mass Difference
-30.01056
EVODEX.1-E600 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H]>>[#7:2]-[#6:3](-[#6:4])=[#8]
EVODEX.1-N145 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]
EVODEX.1-Em228 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]
EVODEX.1-Nm227 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]
Source Full Reactions
EVODEX.1-R313
[H][C@@:7]([C:6]([C:5]([C:2]([C:1]([H:27])([H:28])[H:29])([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])[H:26])([H:24])[H:25])([H:22])[H:23])([N:8]([H:18])[H:19])[C:9](=[O:10])[O:11][H].[O:12]=[O:13]>>[C:9](=[O:10])=[O:11].[C:1]([C:2]([C:3]([N:4]([H:14])[H:15])([H:16])[H:17])([C:5]([C:6]([C:7]([N:8]([H:18])[H:19])=[O:12])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])([H:28])[H:29].[H][O:13][H]