SMIRKS
[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[H]C([H])([H])C(=O)[C@@:14]([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])([O:15][H])[H:27]
Derived Operators
EVODEX.1-F213 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 4 |
EVODEX.1-M178 - Mass Difference
44.02622
EVODEX.1-E142 - Reaction Operator E
[#6:2]-[#6:4](=[#8:5])-[H].[#8:11]=[#6:12](-[#6:13])-[H:48]>>[#6:2]-[#6:4](=[#8:5])-[#6:12](-[#8:11]-[H])(-[#6:13])-[H:48]
EVODEX.1-C1055 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@@:14]-[#8:15]-[H]
EVODEX.1-N300 - Reaction Operator N
[#8:12]=[#6:13](-[#6:14])-[H:27].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6@@:13](-[#6:2](=[#8:1])-[#6:3])(-[#6:14])-[H:27]
EVODEX.1-Em56 - Reaction Operator Em
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
EVODEX.1-Nm71 - Reaction Operator Nm
[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]
Source Full Reactions
EVODEX.1-R1910
[H][O:6][C:4]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])=[O:5].[C:7]([C:8]([C:9]([H:22])([H:23])[H:24])([C:10]1:[C:11]([H:25]):[C:12]([H:26]):[C:13]([C:14](=[O:15])[H:27]):[C:16]([H:28]):[C:17]:1[H:29])[H:30])([H:31])([H:32])[H:33]>>[C:4](=[O:5])=[O:6].[H][O:15][C@@:14]([C:2]([C:1]([H:19])([H:20])[H:21])=[O:3])([C:13]1:[C:12]([H:26]):[C:11]([H:25]):[C:10]([C:8]([C:7]([H:31])([H:32])[H:33])([C:9]([H:22])([H:23])[H:24])[H:30]):[C:17]([H:29]):[C:16]:1[H:28])[H:27]