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EVODEX.1-P4114

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:5][C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F206 - Elemental Balance

O2
C9
H6

EVODEX.1-M130 - Mass Difference

146.03678

EVODEX.1-E910 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#8:5]-[H]>>[#6:4]-[#8:5]-[#6](=[#8])-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])-[H])-[H]

EVODEX.1-C272 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:5]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N304 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:5]-[#6:4]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-Em42 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:18]>>[#6]=[#6]-[#6](=[#8])-[#8:17]-[#6:18]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R4955

Full Reaction Rendering

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:29]):[C:14]([H:30]):[C:15]([O:16][H:31]):[C:17]([H:32]):[C:18]:1[H:33])[H:34])[H:35])([H:36])([H:37])[H:38]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:29]):[C:14]([H:30]):[C:15]([O:16][H:31]):[C:17]([H:32]):[C:18]:1[H:33])[H:34])[H:35])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:7][C:6]([H:36])([H:37])[H:38]