SMIRKS
[H]O[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])=[O:13]>>[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])=[O:13]
Derived Operators
EVODEX.1-F148 - Elemental Balance
| O | 2 |
| C | 3 |
| H | 6 |
EVODEX.1-M117 - Mass Difference
74.03678000000001
EVODEX.1-E810 - Reaction Operator E
[#8:1](-[H:21])-[H]>>[#8:1](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:21]
EVODEX.1-C508 - Reaction Operator C
[H]-[#8]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]
EVODEX.1-N634 - Reaction Operator N
[H]-[#8]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]
Source Full Reactions
EVODEX.1-R4813
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[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:41])([H:42])([H:43])[H:44].[H][O:15][C:16]([C:17]([O:18][H:45])([C:19]([O:20][H:46])([H:47])[H:48])[H:49])([H:50])[H:51]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:15][C:16]([C:17]([O:18][H:45])([C:19]([O:20][H:46])([H:47])[H:48])[H:49])([H:50])[H:51])([H:22])[H:23])([H:24])[H:25])([H:26])[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:41])([H:42])([H:43])[H:44].[H][O:14][H:21]