SMIRKS
Cl[C:5]([C:3](=[O:2])[O:4][H:9])([C:7]([O:8][H:10])([H:11])[H:12])[H:13]>>[H]O[C@@:5]([C:3](=[O:2])[O:4][H:9])([C:7]([O:8][H:10])([H:11])[H:12])[H:13]
Derived Operators
EVODEX.1-F543 - Elemental Balance
| Cl | -1 |
| O | 1 |
| H | 1 |
EVODEX.1-M170 - Mass Difference
-17.966169999999998
EVODEX.1-E1363 - Reaction Operator E
[#6:1]-[#6:2](-[#6:3])(-[#17])-[H:9]>>[#6:1]-[#6:2](-[#6:3])(-[#8]-[H])-[H:9]
EVODEX.1-N899 - Reaction Operator N
[#17]-[#6@@:8](-[H:16])(-[#6@:6])-[#6@@:10]>>[H]-[#8]-[#6@@:8](-[H:16])(-[#6@:6])-[#6@@:10]
EVODEX.1-Em707 - Reaction Operator Em
[#17]-[#6:8](-[#6:6])-[#6:10]>>[H]-[#8]-[#6:8](-[#6:6])-[#6:10]
EVODEX.1-Nm636 - Reaction Operator Nm
[#17]-[#6:8](-[#6:6])-[#6:10]>>[H]-[#8]-[#6:8](-[#6:6])-[#6:10]
Source Full Reactions
EVODEX.1-R6697
[O:2]=[C:3]([O:4][H:9])[C:5]([Cl:6])([C:7]([O:8][H:10])([H:11])[H:12])[H:13].[H][O:1][H:14]>>[H][Cl:6].[O:1]([C@@:5]([C:3](=[O:2])[O:4][H:9])([C:7]([O:8][H:10])([H:11])[H:12])[H:13])[H:14]