SMIRKS
[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:22][C:23]([C:24]([O:25][H:29])([H:30])[H:31])([C:26]([O:27][H:32])([H:33])[H:34])[H:35])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]>>[H][O:22][C:23]([C:24]([O:25][H:29])([H:30])[H:31])([C:26]([O:27][H:32])([H:33])[H:34])[H:35]
Derived Operators
EVODEX.1-F121 - Elemental Balance
O | -1 |
C | -20 |
H | -30 |
EVODEX.1-M240 - Mass Difference
-286.2298
EVODEX.1-E747 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:22]-[#6:23])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:22](-[#6:23])-[H]
EVODEX.1-C507 - Reaction Operator C
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:22])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8:22]
EVODEX.1-N632 - Reaction Operator N
[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:22]-[#6:23])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8:22]-[#6:23]
Source Full Reactions
EVODEX.1-R4807
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]([O:25][H:29])([H:30])[H:31])([C:26]([O:27][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:47])([H:48])[H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:28][H:67]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([C:8]([C:9](=[C:10]([C:11]([C:12](=[C:13]([C:14]([C:15](=[C:16]([C:17]([C:18]([C:19]([C:20](=[O:21])[O:28][H:67])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])[H:43])([H:44])[H:45])[H:46])[H:47])([H:48])[H:49])[H:50])[H:51])([H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:22][C:23]([C:24]([O:25][H:29])([H:30])[H:31])([C:26]([O:27][H:32])([H:33])[H:34])[H:35]