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EVODEX.1-P6133

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:2]([C:1]([H:14])([H:15])[H:16])([C:3]([H:9])([H:10])[H:11])[H:13])=[O:5]>>[H]OC(=O)[C:4]([C:2]([C:1]([H:14])([H:15])[H:16])([C:3]([H:9])([H:10])[H:11])[H:13])=[O:5]

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-R6735

Full Reaction Rendering

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