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EVODEX.1-P5932

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]#[C:2][C:3]([O:4][H:14])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([Br:9]):[C:10]([H:17]):[C:11]:1[H:18])[H:19].[H][O:12][H]>>[H]O[C:2]([C@:3]([O:4][H:14])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([Br:9]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])=[O:12].[H][N:1]([H])[H]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E391 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10].[#8:7](-[H])-[H]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8:7])-[#8]-[H])-[H:10].[#7:6](-[H])(-[H])-[H]

EVODEX.1-C711 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:8]-[#6:10]#[#7:11].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6@@:8])=[#8:12].[H]-[#7:11](-[H])-[H]

EVODEX.1-N876 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6:8](-[#8:9])(-[#6:10]#[#7:11])-[H:19].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6@@:8](-[#6:7])(-[#8:9])-[H:19])=[#8:12].[H]-[#7:11](-[H])-[H]

EVODEX.1-Em134 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:10]#[#7:11].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6:8])=[#8:12].[H]-[#7:11](-[H])-[H]

EVODEX.1-Cm106 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Nm89 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]

Source Full Reactions

EVODEX.1-R6592

Full Reaction Rendering

[N:1]#[C:2][C:3]([O:4][H:14])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([Br:9]):[C:10]([H:17]):[C:11]:1[H:18])[H:19].[H][O:12][H].[H][O:13][H:22]>>[C:2]([C@:3]([O:4][H:14])([C:5]1:[C:6]([H:15]):[C:7]([H:16]):[C:8]([Br:9]):[C:10]([H:17]):[C:11]:1[H:18])[H:19])(=[O:12])[O:13][H:22].[H][N:1]([H])[H]