SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])O[C:3](=[O:2])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:19])([H:20])[H:21])([H:22])[H:23]):C([H]):C:1[H].[H][O:1][H:31]>>[O:1]([C:3](=[O:2])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:19])([H:20])[H:21])([H:22])[H:23])[H:31]
Derived Operators
EVODEX.1-F77 - Elemental Balance
| O | -1 |
| C | -7 |
| H | -8 |
EVODEX.1-M105 - Mass Difference
-108.05754
EVODEX.1-E644 - Reaction Operator E
[#8:2]=[#6:3](-[#6:4])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H].[#8:1](-[H:31])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:4])-[H:31]
EVODEX.1-C506 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6:3]):[#6](-[H]):[#6]:1-[H].[H]-[#8:1]>>[#8:1]-[#6:3]
EVODEX.1-N625 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6:3](=[#8:2])-[#6:4]):[#6](-[H]):[#6]:1-[H].[H]-[#8:1]-[H:31]>>[#8:1](-[#6:3](=[#8:2])-[#6:4])-[H:31]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R6366
[O:2]=[C:3]([C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:19])([H:20])[H:21])([H:22])[H:23])[O:11][C:12]([C:13]1:[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]:1[H:28])([H:29])[H:30].[H][O:1][H:31]>>[H][O:11][C:12]([C:13]1:[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]:1[H:28])([H:29])[H:30].[O:1]([C:3](=[O:2])[C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:19])([H:20])[H:21])([H:22])[H:23])[H:31]