SMIRKS
[H]OC(=O)[C:3]([H])([N:2]([C:1]([H:26])([H:27])[H:28])[H:25])[C:4]([C:5]1:[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22]>>O=[C:3]([N:2]([C:1]([H:26])([H:27])[H:28])[H:25])[C:4]([C:5]1:[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22]
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-R324
[H][C:3]([N:2]([C:1]([H:26])([H:27])[H:28])[H:25])([C:4]([C:5]1:[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])[C:11](=[O:12])[O:13][H].[O:14]=[O:15]>>[C:11](=[O:12])=[O:13].[C:1]([N:2]([C:3]([C:4]([C:5]1:[C:6]([H:16]):[C:7]([H:17]):[C:8]([H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22])=[O:14])[H:25])([H:26])([H:27])[H:28].[H][O:15][H]