SMIRKS
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].O=[C:8]([C:9]1:[C:10]([H:22]):[N:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:8]([C:9]1:[C:10]([H:22]):[N:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28])[H:19]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E496 - Reaction Operator E
[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])(-[H:24])(-[H])-[H].[#8]=[#6:8](-[#6:9])-[H:36]>>[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])(=[#6:8](-[#6:9])-[H:36])-[H:24]
EVODEX.1-N944 - Reaction Operator N
[H]-[#6:1](-[H])(-[#6:2])-[H:17].[#8]=[#6:12](-[#6:11])-[H:22]>>[#6:1](-[#6:2])(=[#6:12](-[#6:11])-[H:22])-[H:17]
EVODEX.1-Em752 - Reaction Operator Em
[H]-[#6:1](-[H])-[#6:2](=[#8:3])-[#6:4]=[#8:5].[#8]=[#6:12]-[#6:11]>>[#6:1](-[#6:2](=[#8:3])-[#6:4]=[#8:5])=[#6:12]-[#6:11]
EVODEX.1-Nm681 - Reaction Operator Nm
[H]-[#6:1](-[H])-[#6:2].[#8]=[#6:12]-[#6:11]>>[#6:1](-[#6:2])=[#6:12]-[#6:11]
Source Full Reactions
EVODEX.1-R6931
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].[O:7]=[C:8]([C:9]1:[C:10]([H:22]):[N:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:8]([C:9]1:[C:10]([H:22]):[N:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28])[H:19].[H][O:7][H]