SMIRKS
[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]
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-R4960
[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7](=[O:8])[C:9](=[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([O:15][H:23]):[C:16]([O:17][C:18]([H:24])([H:25])[H:26]):[C:19]:1[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][O:20][H:41]>>[C:1]([C:2]([C:3]([C:4]([C:5]([O:20][H:41])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:6][C:7](=[O:8])[C:9](=[C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([O:15][H:23]):[C:16]([O:17][C:18]([H:24])([H:25])[H:26]):[C:19]:1[H:27])[H:28])[H:29]