SMIRKS
[O:11]=[O:12].[H][C:18]([C:17]1:[C:16]([H:25]):[N:15]([H:24]):[C:14](=[O:13]):[N:23]([H:31]):[C:21]:1=[O:22])([C:19]([O:20][H:26])([H:27])[H:28])[H:29]>>[H]OC(=O)C([H])([H])C([H])([H])C(=O)[O:12][H].[H][O:11][C:18]([C:17]1:[C:16]([H:25]):[N:15]([H:24]):[C:14](=[O:13]):[N:23]([H:31]):[C:21]:1=[O:22])([C:19]([O:20][H:26])([H:27])[H:28])[H:29]
Derived Operators
EVODEX.1-F134 - Elemental Balance
| O | 3 |
| C | 4 |
| H | 6 |
EVODEX.1-M25 - Mass Difference
102.03168
EVODEX.1-E780 - Reaction Operator E
[#6:12]-[#6:13](-[H:33])(-[H])-[#6@@:14].[#8:31]=[#8:32]>>[#6:12]-[#6@:13](-[#8:32]-[H])(-[H:33])-[#6@@:14].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8])-[#8:31]-[H])(-[H])-[H])(-[H])-[H]
EVODEX.1-C50 - Reaction Operator C
[H]-[#6:10].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-N148 - Reaction Operator N
[H]-[#6:10](-[#6:9])(-[#6@:11])-[H:41].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6@@:10](-[#6:9])(-[#6@:11])-[H:41].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Em230 - Reaction Operator Em
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
EVODEX.1-Nm228 - Reaction Operator Nm
[H]-[#6:10](-[#6:9])-[#6:11].[#8:26]=[#8:27]>>[H]-[#8:26]-[#6:10](-[#6:9])-[#6:11].[#6]-[#6](=[#8])-[#8:27]-[H]
Source Full Reactions
EVODEX.1-R407
[O:11]=[O:12].[H][C:18]([C:17]1:[C:16]([H:25]):[N:15]([H:24]):[C:14](=[O:13]):[N:23]([H:31]):[C:21]:1=[O:22])([C:19]([O:20][H:26])([H:27])[H:28])[H:29].[H][O:10][C:8]([C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:32])([H:36])[H:37])([H:34])[H:35])=[O:7])=[O:9]>>[C:8](=[O:9])=[O:10].[H][O:12][C:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:32])([H:36])[H:37])([H:34])[H:35])=[O:7].[H][O:11][C:18]([C:17]1:[C:16]([H:25]):[N:15]([H:24]):[C:14](=[O:13]):[N:23]([H:31]):[C:21]:1=[O:22])([C:19]([O:20][H:26])([H:27])[H:28])[H:29]