SMIRKS
[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28]
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-R4798
[C:1]([C:2]([O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:17][H:32]>>[C:1]([C:2]([O:17][H:32])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26]