SMIRKS
[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:1]([H:26])([H:27])[H:28]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:1]([H:26])([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-R4950
[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6]([C:7]1:[C:8]([H:26]):[C:9]([H:27]):[C:10]([O:11][H:28]):[C:12]([O:13][C:14]([H:29])([H:30])[H:31]):[C:15]:1[H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][O:16][C:17]1([H:38])[O:18][C:19]([H:39])([H:40])[C@@:20]([O:21][H:41])([H:42])[C@@:22]([O:23][H:43])([H:44])[C@:24]1([O:25][H:45])[H:46]>>[C:3](=[O:4])([C:5](=[C:6]([C:7]1:[C:8]([H:26]):[C:9]([H:27]):[C:10]([O:11][H:28]):[C:12]([O:13][C:14]([H:29])([H:30])[H:31]):[C:15]:1[H:32])[H:33])[H:34])[O:16][C:17]1([H:38])[O:18][C:19]([H:39])([H:40])[C@@:20]([O:21][H:41])([H:42])[C@@:22]([O:23][H:43])([H:44])[C@:24]1([O:25][H:45])[H:46].[H][O:2][C:1]([H:35])([H:36])[H:37]
EVODEX.1-R4799
[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([O:11][H:19]):[C:12]([O:13][C:14]([H:20])([H:21])[H:22]):[C:15]:1[H:23])[H:24])[H:25])([H:26])([H:27])[H:28].[H][O:16][H:29]>>[C:1]([O:16][H:29])([H:26])([H:27])[H:28].[H][O:2][C:3](=[O:4])[C:5](=[C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([O:11][H:19]):[C:12]([O:13][C:14]([H:20])([H:21])[H:22]):[C:15]:1[H:23])[H:24])[H:25]
EVODEX.1-R4954
[H][O:5][C:4]([C:3]([C:2]([C:1]([H:28])([H:29])[H:30])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([O:16][H:33]):[C:17]([O:18][C:19]([H:34])([H:35])[H:36]):[C:20]:1[H:37])[H:38])[H:39])([H:40])([H:41])[H:42]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([O:16][H:33]):[C:17]([O:18][C:19]([H:34])([H:35])[H:36]):[C:20]:1[H:37])[H:38])[H:39])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30].[H][O:7][C:6]([H:40])([H:41])[H:42]