SMIRKS
[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])=[O:9].[H][O:16][H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:16][H:39])([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]
Derived Operators
EVODEX.1-F324 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -8 |
EVODEX.1-M334 - Mass Difference
-92.04734
EVODEX.1-E1106 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#8]-[#6](-[#6](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H].[#8:10](-[H:21])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:10]-[H:21]
EVODEX.1-C494 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:18].[H]-[#8:26]>>[#6:18]-[#8:26]
EVODEX.1-N606 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19].[H]-[#8:26]-[H:65]>>[#6:17]-[#6:18](=[#8:19])-[#8:26]-[H:65]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R4716
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][C:11]([C:12]([O:13][H:17])([C:14]([O:15][H:18])([H:19])[H:20])[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][O:16][H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:16][H:39])([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][O:10][C:11]([C:12]([O:13][H:17])([C:14]([O:15][H:18])([H:19])[H:20])[H:21])([H:22])[H:23]