SMIRKS
[C:7]([C:8]([C:9]([H:23])([H:24])[H:25])([C:10]([H:26])([H:27])[H:28])[C:11]1:[C:12]([H:29]):[C:13]([H:30]):[C:14]([C:15](=[O:16])[H:31]):[C:17]([H:32]):[C:18]:1[H:33])([H:34])([H:35])[H:36]>>[H]C([H])([H])C(=O)[C@@:15]([C:14]1:[C:13]([H:30]):[C:12]([H:29]):[C:11]([C:8]([C:7]([H:34])([H:35])[H:36])([C:9]([H:23])([H:24])[H:25])[C:10]([H:26])([H:27])[H:28]):[C:18]([H:33]):[C:17]:1[H:32])([O:16][H])[H:31]
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-R1909
[H][O:6][C:4]([C:2]([C:1]([H:20])([H:21])[H:22])=[O:3])=[O:5].[C:7]([C:8]([C:9]([H:23])([H:24])[H:25])([C:10]([H:26])([H:27])[H:28])[C:11]1:[C:12]([H:29]):[C:13]([H:30]):[C:14]([C:15](=[O:16])[H:31]):[C:17]([H:32]):[C:18]:1[H:33])([H:34])([H:35])[H:36]>>[C:4](=[O:5])=[O:6].[H][O:16][C@@:15]([C:2]([C:1]([H:20])([H:21])[H:22])=[O:3])([C:14]1:[C:13]([H:30]):[C:12]([H:29]):[C:11]([C:8]([C:7]([H:34])([H:35])[H:36])([C:9]([H:23])([H:24])[H:25])[C:10]([H:26])([H:27])[H:28]):[C:18]([H:33]):[C:17]:1[H:32])[H:31]