SMIRKS
[H]OC([H])(C([H])([H])[H])[C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:23])([H:24])[H:25]):[C:13]([H:22]):[C:12]:1[H:21])=[O:8]>>[H][C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:23])([H:24])[H:25]):[C:13]([H:22]):[C:12]:1[H:21])=[O:8]
Derived Operators
EVODEX.1-F78 - Elemental Balance
| C | -2 |
| O | -1 |
| H | -4 |
EVODEX.1-M185 - Mass Difference
-44.02622
EVODEX.1-E149 - Reaction Operator E
[#6:15]-[#6@@:17](-[#8:18]-[H])(-[#6:19](=[#8:20])-[#6:21])-[H:36]>>[#6:15]-[#6:17](=[#8:18])-[H:36].[#6:19](=[#8:20])(-[#6:21])-[H]
EVODEX.1-C1023 - Reaction Operator C
[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6:4]>>[H]-[#6:4]
EVODEX.1-N915 - Reaction Operator N
[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Em724 - Reaction Operator Em
[#8]-[#6](-[H])(-[#6])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
EVODEX.1-Nm653 - Reaction Operator Nm
[#8]-[#6](-[H])(-[#6])-[#6:4](=[#8:5])-[#6:6]>>[H]-[#6:4](=[#8:5])-[#6:6]
Source Full Reactions
EVODEX.1-R6781
[H][O:11][C:9]([C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:23])([H:24])[H:25]):[C:13]([H:22]):[C:12]:1[H:21])=[O:8])([C:10]([H:16])([H:17])[H:18])[H:20]>>[H][C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([O:2][C:1]([H:23])([H:24])[H:25]):[C:13]([H:22]):[C:12]:1[H:21])=[O:8].[C:9]([C:10]([H:16])([H:17])[H:18])(=[O:11])[H:20]