SMIRKS
[C:7]([N:8]1:[C:9]([H:23]):[C:10]([C:11](=[O:12])[H:24]):[C:13]2:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1:2)([H:29])([H:30])[H:31]>>[H]OC(=O)C(=O)C([H])=[C:11]([C:10]1:[C:9]([H:23]):[N:8]([C:7]([H:29])([H:30])[H:31]):[C:18]2:[C:13]:1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:2[H:28])[H:24].[H][O:12][H]
Derived Operators
EVODEX.1-F56 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 4 |
EVODEX.1-M31 - Mass Difference
88.01602
EVODEX.1-E585 - Reaction Operator E
[#8:7]=[#6:8](-[#6:9])-[H:36]>>[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(=[#6:8](-[#6:9])-[H:36])-[H].[#8:7](-[H])-[H]
EVODEX.1-C736 - Reaction Operator C
[#8:7]=[#6:8]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8].[H]-[#8:7]-[H]
EVODEX.1-N942 - Reaction Operator N
[#8:7]=[#6:8](-[#6:9])-[H:29]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8](-[#6:9])-[H:29].[H]-[#8:7]-[H]
EVODEX.1-Em750 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6](=[#8])-[#6](=[#8])-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:7]-[H]
EVODEX.1-Nm679 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])=[#6:8]-[#6:9].[H]-[#8:7]-[H]
Source Full Reactions
EVODEX.1-R6907
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:19])[H:20].[C:7]([N:8]1:[C:9]([H:23]):[C:10]([C:11](=[O:12])[H:24]):[C:13]2:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1:2)([H:29])([H:30])[H:31]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:19])(=[C:11]([C:10]1:[C:9]([H:23]):[N:8]([C:7]([H:29])([H:30])[H:31]):[C:18]2:[C:13]:1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:2[H:28])[H:24])[H:20].[H][O:12][H]