SMIRKS
[H]C([H])([H])C([H])([H])O[C:8]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])[H:24])=[O:9].[H][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C@@:5]([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])([C:8](=[O:9])[O:13][H:34])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]
Derived Operators
EVODEX.1-F65 - Elemental Balance
| C | -2 |
| O | -1 |
| H | -6 |
EVODEX.1-M549 - Mass Difference
-46.04188
EVODEX.1-E610 - Reaction Operator E
[#6:7]-[#6:12](=[#8:13])-[#8]-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H].[#8:17](-[H:40])-[H]>>[#6:7]-[#6:12](=[#8:13])-[#8:17]-[H:40]
EVODEX.1-C497 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:10].[H]-[#8:15]>>[#6:10]-[#8:15]
EVODEX.1-N612 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:15]-[H:40]>>[#6:9]-[#6:10](=[#8:11])-[#8:15]-[H:40]
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-R4870
[C:1]([C:2]([C:3]([C:4]([C@@:5]([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])([C:8](=[O:9])[O:10][C:11]([C:12]([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][O:13][H:34]>>[C:1]([C:2]([C:3]([C:4]([C@@:5]([C:6]([C:7]([H:14])([H:15])[H:16])([H:17])[H:18])([C:8](=[O:9])[O:13][H:34])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:10][C:11]([C:12]([H:19])([H:20])[H:21])([H:22])[H:23]