EVODEX Logo

EVODEX.1-P784

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E180 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:18].[#8:14](-[#8:15]-[H])-[H]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:14]=[#8:15].[#8:9](-[H:18])-[H]

EVODEX.1-C237 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:6]-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-N221 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8]-[H:16].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]-[H:16]

EVODEX.1-Em314 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-Cm219 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6].[#8:13]=[#8:14].[H]-[#8:8]

EVODEX.1-Nm305 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8].[H]-[#8:13]-[#8:14]-[H]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:13]=[#8:14].[H]-[#8:8]

Source Full Reactions

EVODEX.1-R747

Full Reaction Rendering

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