SMIRKS
[H]C([H])=C([H])O[C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43].[H][O:15][C:16]([C:17]([C:18]1:[C:19]([H:47]):[C:20]([H:48]):[C:21]([O:22][H:49]):[C:23]([H:50]):[C:24]:1[H:51])([H:52])[H:53])([H:54])[H:55]>>[C:4](=[O:5])([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[O:15][C:16]([C:17]([C:18]1:[C:19]([H:47]):[C:20]([H:48]):[C:21]([O:22][H:49]):[C:23]([H:50]):[C:24]:1[H:51])([H:52])[H:53])([H:54])[H:55]
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-R4973
[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])[H:46].[H][O:15][C:16]([C:17]([C:18]1:[C:19]([H:47]):[C:20]([H:48]):[C:21]([O:22][H:49]):[C:23]([H:50]):[C:24]:1[H:51])([H:52])[H:53])([H:54])[H:55]>>[C:4](=[O:5])([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[O:15][C:16]([C:17]([C:18]1:[C:19]([H:47]):[C:20]([H:48]):[C:21]([O:22][H:49]):[C:23]([H:50]):[C:24]:1[H:51])([H:52])[H:53])([H:54])[H:55].[H][O:3][C:2](=[C:1]([H:45])[H:46])[H:44]