SMIRKS
[C:6]([C:7]1:[C:8]([H:21]):[C:9]([H:22]):[C:10]([C:11](=[O:12])[H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])([H:27])[H:28]>>[H]O[C@@]([H])(C(=O)C([H])([H])[H])[C@:11]([C:10]1:[C:9]([H:22]):[C:8]([H:21]):[C:7]([C:6]([H:26])([H:27])[H:28]):[C:14]([H:25]):[C:13]:1[H:24])([O:12][H])[H:23]
Derived Operators
EVODEX.1-F148 - Elemental Balance
| O | 2 |
| C | 3 |
| H | 6 |
EVODEX.1-M117 - Mass Difference
74.03678000000001
EVODEX.1-E811 - Reaction Operator E
[#8:6]=[#6:7](-[#6:8])-[H:22]>>[#6](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:22])-[H])(-[H])(-[H])-[H]
EVODEX.1-C659 - Reaction Operator C
[#8:6]=[#6:7]>>[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@:7]-[#8:6]-[H]
EVODEX.1-N815 - Reaction Operator N
[#8:6]=[#6:7](-[#6:8])-[H:22]>>[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:22]
EVODEX.1-Em72 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
EVODEX.1-Nm86 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
Source Full Reactions
EVODEX.1-R6046
[H][C:4]([C:2]([C:1]([H:18])([H:19])[H:20])=[O:3])([O:5][H:15])[H:16].[C:6]([C:7]1:[C:8]([H:21]):[C:9]([H:22]):[C:10]([C:11](=[O:12])[H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])([H:27])[H:28]>>[H][O:12][C@:11]([C@:4]([C:2]([C:1]([H:18])([H:19])[H:20])=[O:3])([O:5][H:15])[H:16])([C:10]1:[C:9]([H:22]):[C:8]([H:21]):[C:7]([C:6]([H:26])([H:27])[H:28]):[C:14]([H:25]):[C:13]:1[H:24])[H:23]