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EVODEX.1-P4141

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C(=O)[O:5][C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17]>>[H][O:5][C:6]1:[C:7]([H:13]):[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]:1[H:17]

Derived Operators

EVODEX.1-F164 - Elemental Balance

O-1
C-3
H-4

EVODEX.1-M120 - Mass Difference

-56.02622

EVODEX.1-E832 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C288 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N324 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em10 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm9 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](=[#8])-[#8:20]-[#6:21]>>[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4981

Full Reaction Rendering

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