SMIRKS
Cl[C:4]1([H:13])[C:3]([H:12])=[C:2]([Cl:1])[C:9]([Cl:10])([H:15])[C:8]([H:14])=[C:6]1[Cl:7]>>[H]O[C:4]1([H:13])[C:3]([H:12])=[C:2]([Cl:1])[C:9]([Cl:10])([H:15])[C:8]([H:14])=[C:6]1[Cl:7]
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-R6700
[Cl:1][C:2]1=[C:3]([H:12])[C:4]([Cl:5])([H:13])[C:6]([Cl:7])=[C:8]([H:14])[C:9]1([Cl:10])[H:15].[H][O:11][H:16]>>[Cl:1][C:2]1=[C:3]([H:12])[C:4]([O:11][H:16])([H:13])[C:6]([Cl:7])=[C:8]([H:14])[C:9]1([Cl:10])[H:15].[H][Cl:5]