SMIRKS
[H]C([H])([H])O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])=[O:7].[H][O:10][H:25]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:10][H:25])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24]
Derived Operators
EVODEX.1-F466 - Elemental Balance
| C | -1 |
| O | -1 |
| H | -4 |
EVODEX.1-M447 - Mass Difference
-32.02622
EVODEX.1-E1277 - Reaction Operator E
[#6:39](-[#6@@:31])(=[#8:40])-[#8]-[#6](-[H])(-[H])-[H].[#8:43](-[H:85])-[H]>>[#6:39](-[#6@@:31])(=[#8:40])-[#8:43]-[H:85]
EVODEX.1-C37 - Reaction Operator C
[#6:19]-[#8:20]-[#6@@:21].[H]-[#8:35]>>[#6:19]-[#8:35].[H]-[#8:20]-[#6:21]
EVODEX.1-N609 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#8]-[#6:19](-[#6:18])=[#8:20].[H]-[#8:23]-[H:60]>>[#6:18]-[#6:19](=[#8:20])-[#8:23]-[H:60]
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-R4722
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][C:9]([H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][O:10][H:25]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:10][H:25])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][O:8][C:9]([H:11])([H:12])[H:13]