SMIRKS
[H]C([H])=C([H])O[C:4]([C:5]([H:19])([H:20])[H:21])=[O:6].[H][O:7][C:8]([C@@:9]1([H:25])[O:10][C:11]([O:12][H:26])([H:27])[C@@:13]([O:14][H:28])([H:29])[C@:15]([O:16][H:30])([H:31])[C@@:17]1([O:18][H:32])[H:33])([H:34])[H:35]>>[C:4]([C:5]([H:19])([H:20])[H:21])(=[O:6])[O:7][C:8]([C@@:9]1([H:25])[O:10][C:11]([O:12][H:26])([H:27])[C@@:13]([O:14][H:28])([H:29])[C@:15]([O:16][H:30])([H:31])[C@@:17]1([O:18][H:32])[H:33])([H:34])[H:35]
Derived Operators
EVODEX.1-F78 - Elemental Balance
| C | -2 |
| O | -1 |
| H | -4 |
EVODEX.1-M185 - Mass Difference
-44.02622
EVODEX.1-E646 - Reaction Operator E
[#6](=[#6](-[#8]-[#6:4](=[#8:5])-[#6:6])-[H])(-[H])-[H].[#8:8](-[#6:9])-[H]>>[#6:4](=[#8:5])(-[#6:6])-[#8:8]-[#6:9]
EVODEX.1-C510 - Reaction Operator C
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4].[H]-[#8:15]>>[#6:4]-[#8:15]
EVODEX.1-N639 - Reaction Operator N
[H]-[#6](-[H])=[#6](-[H])-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Em605 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
EVODEX.1-Nm129 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:15]-[#6:16]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[#6:16]
Source Full Reactions
EVODEX.1-R4925
[C:1](=[C:2]([O:3][C:4]([C:5]([H:19])([H:20])[H:21])=[O:6])[H:22])([H:23])[H:24].[H][O:7][C:8]([C@@:9]1([H:25])[O:10][C:11]([O:12][H:26])([H:27])[C@@:13]([O:14][H:28])([H:29])[C@:15]([O:16][H:30])([H:31])[C@@:17]1([O:18][H:32])[H:33])([H:34])[H:35]>>[C:4]([C:5]([H:19])([H:20])[H:21])(=[O:6])[O:7][C:8]([C@@:9]1([H:25])[O:10][C:11]([O:12][H:26])([H:27])[C@@:13]([O:14][H:28])([H:29])[C@:15]([O:16][H:30])([H:31])[C@@:17]1([O:18][H:32])[H:33])([H:34])[H:35].[H][O:3][C:2](=[C:1]([H:23])[H:24])[H:22]