SMIRKS
Cl[C:3]([C:2]([C:1]([H:13])([H:14])[H:15])([H:11])[H:12])([C:4]([H:7])([H:8])[H:9])[H:10].[H][O:6][H:16]>>[C:1]([C:2]([C:3]([C:4]([H:7])([H:8])[H:9])([O:6][H:16])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15]
Derived Operators
EVODEX.1-F238 - Elemental Balance
| Cl | -1 |
| H | -1 |
EVODEX.1-M137 - Mass Difference
-35.976729999999996
EVODEX.1-E962 - Reaction Operator E
[#6:1]-[#6:2](-[#6:3])(-[#17])-[H:9].[#8:5](-[H:13])-[H]>>[#6:1]-[#6:2](-[#6:3])(-[#8:5]-[H:13])-[H:9]
EVODEX.1-N898 - Reaction Operator N
[#17]-[#6:2](-[H:15])(-[#6:3])-[#6:12].[H]-[#8:14]-[H:20]>>[#6:2](-[#8:14]-[H:20])(-[H:15])(-[#6:3])-[#6:12]
EVODEX.1-Em706 - Reaction Operator Em
[#17]-[#6:2](-[#6:3])-[#6:12].[H]-[#8:14]>>[#6:2](-[#8:14])(-[#6:3])-[#6:12]
EVODEX.1-Nm635 - Reaction Operator Nm
[#17]-[#6:2](-[#6:3])-[#6:12].[H]-[#8:14]>>[#6:2](-[#8:14])(-[#6:3])-[#6:12]
Source Full Reactions
EVODEX.1-R6704
[C:1]([C:2]([C:3]([C:4]([H:7])([H:8])[H:9])([Cl:5])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15].[H][O:6][H:16]>>[C:1]([C:2]([C:3]([C:4]([H:7])([H:8])[H:9])([O:6][H:16])[H:10])([H:11])[H:12])([H:13])([H:14])[H:15].[H][Cl:5]