SMIRKS
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].O=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25])[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-R6922
[H][C:1]([H])([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])[H:19].[C:7]([O:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([C:14](=[O:15])[H:25]):[C:16]:1[O:17][H:26])([H:27])([H:28])[H:29]>>[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:18])(=[C:14]([C:13]1:[C:12]([H:24]):[C:11]([H:23]):[C:10]([H:22]):[C:9]([O:8][C:7]([H:27])([H:28])[H:29]):[C:16]:1[O:17][H:26])[H:25])[H:19].[H][O:15][H]