EVODEX Logo

EVODEX.1-P3976

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E374 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86]>>([#6:81]-[#6:83](=[#8:84])-[#8]-[H].[#6:86]-[#8:85]-[H])

EVODEX.1-C68 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#8:11]>>([H]-[#8]-[#6:9].[#8:11]-[H])

EVODEX.1-N611 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86]>>([H]-[#8]-[#6:83](-[#6:81])=[#8:84].[#6:86]-[#8:85]-[H])

EVODEX.1-Em586 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86]>>([H]-[#8]-[#6:83](-[#6:81])=[#8:84].[#6:86]-[#8:85]-[H])

EVODEX.1-Cm69 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm526 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86]>>([H]-[#8]-[#6:83](-[#6:81])=[#8:84].[#6:86]-[#8:85]-[H])

Source Full Reactions

EVODEX.1-R4824

Full Reaction Rendering

[O:2]=[C:3]1[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([C:7]2:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]:2[H:22])([H:23])[O:13]1.[H][O:1][H:24]>>[H][O:13][C:6]([C:5]([C:4]([C:3]([O:1][H:24])=[O:2])([H:14])[H:15])([H:16])[H:17])([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([H:21]):[C:12]:1[H:22])[H:23]