EVODEX Logo

EVODEX.1-P4477

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])([O:7][C:8]2:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:2[H:27])OC([H])([H])[C@@]1([H])O[H]>>[H][O:7][C:8]1:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:1[H:27]

Derived Operators

EVODEX.1-F144 - Elemental Balance

O-4
C-5
H-8

EVODEX.1-M115 - Mass Difference

-132.04224

EVODEX.1-E802 - Reaction Operator E

Reaction Operator E SMIRKS

[#8](-[#6@]1(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8:7]-[#6@:8])(-[H])-[#8]-[#6](-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H]>>[#8:7](-[#6@:8])-[H]

EVODEX.1-C535 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:7])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]

EVODEX.1-N683 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:7]-[#6@:8])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]-[#6@:8]

EVODEX.1-Em15 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm18 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5318

Full Reaction Rendering

[H][O:1][H:20].[O:2]([C@:3]1([H:22])[C@:4]([O:5][H:23])([H:24])[C@@:6]([O:7][C:8]2:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:2[H:27])([H:28])[O:16][C:17]([H:29])([H:30])[C@:18]1([O:19][H:31])[H:32])[H:33]>>[O:1]([C@@:6]1([H:28])[C@@:4]([O:5][H:23])([H:24])[C@:3]([O:2][H:33])([H:22])[C@@:18]([O:19][H:31])([H:32])[C:17]([H:29])([H:30])[O:16]1)[H:20].[H][O:7][C:8]1:[C:9]([H:25]):[C:10]([Cl:11]):[C:12]([H:26]):[C:13]([Cl:14]):[C:15]:1[H:27]