SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]:1[H:26])[H:27])[H:28])([H:29])([H:30])[H:31]>>[H]C([H])([H])C(=O)[C@:5]([C:4]([H])([C:2]([C:1]([H:29])([H:30])[H:31])=[O:3])[H:28])([C:6]1:[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]:1[H:26])[H:27]
Derived Operators
EVODEX.1-F213 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 4 |
EVODEX.1-M178 - Mass Difference
44.02622
EVODEX.1-E920 - Reaction Operator E
[#6:12]-[#6:13](=[#6:14](-[#6:15]=[#8:17])-[H:25])-[H:26]>>[#6](-[#6](=[#8])-[#6@:13](-[#6:12])(-[#6:14](-[#6:15]=[#8:17])(-[H:25])-[H])-[H:26])(-[H])(-[H])-[H]
EVODEX.1-C269 - Reaction Operator C
[#6:4]=[#6:5]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@:5]-[#6:4]-[H]
EVODEX.1-N296 - Reaction Operator N
[#6:2]-[#6:4](=[#6:5](-[#6:6])-[H:24])-[H:25]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@:5](-[#6:4](-[H])(-[#6:2])-[H:25])(-[#6:6])-[H:24]
EVODEX.1-Em420 - Reaction Operator Em
[#6:2](=[#8:3])-[#6:4]=[#6:5]-[#6:6]>>[#6]-[#6](=[#8])-[#6:5](-[#6:4](-[H])-[#6:2]=[#8:3])-[#6:6]
EVODEX.1-Nm380 - Reaction Operator Nm
[#6:2]-[#6:4]=[#6:5]-[#6:6]>>[#6]-[#6](=[#8])-[#6:5](-[#6:4](-[H])-[#6:2])-[#6:6]
Source Full Reactions
EVODEX.1-R1893
[H][O:17][C:15]([C:13]([C:12]([H:19])([H:20])[H:21])=[O:14])=[O:16].[C:1]([C:2](=[O:3])[C:4](=[C:5]([C:6]1:[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]:1[H:26])[H:27])[H:28])([H:29])([H:30])[H:31]>>[C:15](=[O:16])=[O:17].[H][C:4]([C:2]([C:1]([H:29])([H:30])[H:31])=[O:3])([C@:5]([C:6]1:[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]([H:25]):[C:11]:1[H:26])([C:13]([C:12]([H:19])([H:20])[H:21])=[O:14])[H:27])[H:28]