SMIRKS
[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29]
Derived Operators
EVODEX.1-F231 - Elemental Balance
| O | -3 |
| C | -10 |
| H | -8 |
EVODEX.1-M48 - Mass Difference
-176.04734
EVODEX.1-E948 - Reaction Operator E
[#6](-[#8]-[#6]1:[#6](-[H]):[#6](-[#6](=[#6](-[#6](=[#8])-[#8:10]-[H:22])-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]>>[#8:10](-[H:22])-[H]
EVODEX.1-C112 - Reaction Operator C
[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:10]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8:10]
EVODEX.1-N628 - Reaction Operator N
[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]>>[H]-[#8]
Source Full Reactions
EVODEX.1-R4949
[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[C:7](=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([O:13][H:21]):[C:14]([O:15][C:16]([H:22])([H:23])[H:24]):[C:17]:1[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[C:1]([C:2]([C:3]([O:18][H:35])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:4][C:5](=[O:6])[C:7](=[C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([O:13][H:21]):[C:14]([O:15][C:16]([H:22])([H:23])[H:24]):[C:17]:1[H:25])[H:26])[H:27]