EVODEX.1-P6096 - Partial Reaction

SMIRKS

Cl[C:2]([C:3]([Br:4])([C:5]([Br:6])([H:8])[H:9])[H:10])([H:11])[H:12]>>[H]O[C:2]([C:3]([Br:4])([C:5]([Br:6])([H:8])[H:9])[H:10])([H:11])[H:12]

Derived Operators

EVODEX.1-F543 - Elemental Balance

Cl	-1
O	1
H	1

EVODEX.1-M170 - Mass Difference

-17.966169999999998

EVODEX.1-E1362 - Reaction Operator E

[#6:13]-[#6:14](-[#17])(-[H:17])-[H:18]>>[#6:13]-[#6:14](-[#8]-[H])(-[H:17])-[H:18]

EVODEX.1-C141 - Reaction Operator C

[#17]-[#6:2]>>[H]-[#8]-[#6:2]

EVODEX.1-N902 - Reaction Operator N

[#17]-[#6:2](-[#6:3])(-[H:15])-[H:16]>>[H]-[#8]-[#6:2](-[#6:3])(-[H:15])-[H:16]

EVODEX.1-Em710 - Reaction Operator Em

[#17]-[#6:2]-[#6:3]>>[H]-[#8]-[#6:2]-[#6:3]

EVODEX.1-Cm160 - Reaction Operator Cm

[#17]-[#6:2]>>[#8]-[#6:2]

EVODEX.1-Nm639 - Reaction Operator Nm

[#17]-[#6:2]-[#6:3]>>[H]-[#8]-[#6:2]-[#6:3]

Source Full Reactions

EVODEX.1-R6708

[Cl:1][C:2]([C:3]([Br:4])([C:5]([Br:6])([H:8])[H:9])[H:10])([H:11])[H:12].[H][O:7][H:13]>>[C:2]([C:3]([Br:4])([C:5]([Br:6])([H:8])[H:9])[H:10])([O:7][H:13])([H:11])[H:12].[H][Cl:1]