EVODEX Logo

EVODEX.1-P3910

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:7][C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]2:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1:2>>[H][O:7][C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]2:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1:2

Derived Operators

EVODEX.1-F100 - Elemental Balance

O-1
C-5
H-8

EVODEX.1-M230 - Mass Difference

-84.05754

EVODEX.1-E685 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C502 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N619 - Reaction Operator N

Reaction Operator N SMIRKS

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

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-R4766

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]2:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1:2)([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[O:18][H:35])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:7][C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]2:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1:2