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EVODEX.1-P6177

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F57 - Elemental Balance

O2
C1

EVODEX.1-M101 - Mass Difference

43.9898

EVODEX.1-E591 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C89 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N906 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em715 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm51 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm644 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6784

Full Reaction Rendering

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