SMIRKS
[O:6]=[C:7]([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[S:12]:1)[H:22]>>[H]O[C@@]([H])(C(=O)C([H])([H])[H])[C@@:7]([O:6][H])([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[S:12]:1)[H:22]
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-R6051
[H][C:4]([C:2]([C:1]([H:16])([H:17])[H:18])=[O:3])([O:5][H:13])[H:14].[O:6]=[C:7]([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[S:12]:1)[H:22]>>[H][O:6][C@:7]([C@:4]([C:2]([C:1]([H:16])([H:17])[H:18])=[O:3])([O:5][H:13])[H:14])([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[S:12]:1)[H:22]