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EVODEX.1-P5502

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C(=O)[N:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[Cl:12])[H:18]>>[H][N:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[Cl:12])[H:18]

Derived Operators

EVODEX.1-F164 - Elemental Balance

O-1
C-3
H-4

EVODEX.1-M120 - Mass Difference

-56.02622

EVODEX.1-E831 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](=[#8])-[#7:5](-[#6:6])-[H:21])(-[H])-[H])(-[H])(-[H])-[H]>>[#7:5](-[#6:6])(-[H:21])-[H]

EVODEX.1-C685 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N846 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[H:28]>>[H]-[#7:5](-[#6:6])-[H:28]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6241

Full Reaction Rendering

[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[Cl:12])[H:18])([H:19])[H:20])([H:21])([H:22])[H:23].[H][O:13][H:24]>>[C:1]([C:2]([C:3](=[O:4])[O:13][H:24])([H:19])[H:20])([H:21])([H:22])[H:23].[H][N:5]([C:6]1:[C:7]([H:14]):[C:8]([H:15]):[C:9]([H:16]):[C:10]([H:17]):[C:11]:1[Cl:12])[H:18]