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EVODEX.1-P6080

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E352 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#6:3])(-[#17:4])-[H:9]>>[#6:1]-[#6:2](-[#6:3])(-[#8]-[H])-[H:9].[#17:4]-[H]

EVODEX.1-C142 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:12]-[#17:13]>>[H]-[#8]-[#6:12].[H]-[#17:13]

EVODEX.1-N900 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#6:3])(-[#17:4])-[H:9]>>[H]-[#8]-[#6:2](-[#6:1])(-[#6:3])-[H:9].[H]-[#17:4]

EVODEX.1-Em708 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](-[#6:3])-[#17:4]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[H]-[#17:4]

EVODEX.1-Cm161 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:12]-[#17:13]>>[#8]-[#6:12].[H]-[#17:13]

EVODEX.1-Nm637 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](-[#6:3])-[#17:4]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[H]-[#17:4]

Source Full Reactions

EVODEX.1-R6698

Full Reaction Rendering

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