SMIRKS
[H][C@:2]([N:1]([H:22])[H:23])([C:3]([O:4][H:17])([H:18])[H:19])[C:5](=[O:6])[O:7][H:20]>>O=[C:2]([C:3]([O:4][H:17])([H:18])[H:19])[C:5](=[O:6])[O:7][H:20].[H]OC(=O)C([H])([H])C([H])([H])C(=O)C([H])([H])[N:1]([H:22])[H:23]
Derived Operators
EVODEX.1-F240 - Elemental Balance
| O | 4 |
| C | 5 |
| H | 6 |
EVODEX.1-M297 - Mass Difference
130.02658
EVODEX.1-E964 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3])(-[#6:10]=[#8:11])-[H])(-[H:31])-[H:32]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8].[#7:1](-[#6](-[#6](=[#8])-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:31])-[H:32]
EVODEX.1-C462 - Reaction Operator C
[H]-[#6@:2]-[#7:1]>>[#8]=[#6:2].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7:1]
EVODEX.1-N562 - Reaction Operator N
[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7:1](-[H:31])-[H:32]
EVODEX.1-Em553 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]=[#8:11]>>[#8]=[#6:2](-[#6:3])-[#6:10]=[#8:11].[#6]-[#6](-[H])(-[H])-[#7:1]
EVODEX.1-Nm499 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[#6]-[#6](-[H])(-[H])-[#7:1]
Source Full Reactions
EVODEX.1-R3760
[H][C@:2]([N:1]([H:22])[H:23])([C:3]([O:4][H:17])([H:18])[H:19])[C:5](=[O:6])[O:7][H:20].[O:8]=[C:9]([C:10](=[O:11])[C:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])([H:27])[H:28])[H:29]>>[C:2]([C:3]([O:4][H:17])([H:18])[H:19])([C:5](=[O:6])[O:7][H:20])=[O:8].[H][C:9]([N:1]([H:22])[H:23])([C:10](=[O:11])[C:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])([H:27])[H:28])[H:29]