EVODEX Logo

EVODEX.1-P6176

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E169 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](=[#8:7])-[H].[#8:8]=[#6:9]=[#8:10]>>[#6:5]-[#6:6](=[#8:7])-[#6:9](-[#8:8]-[H])=[#8:10]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N905 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:8](-[#6:7])=[#8:9].[#8:10]=[#6:11]=[#8:12]>>[H]-[#8:10]-[#6:11](-[#6:8](-[#6:7])=[#8:9])=[#8:12]

EVODEX.1-Em714 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:7])=[#8:9].[#8:10]=[#6:11]=[#8:12]>>[H]-[#8:10]-[#6:11](-[#6:8](-[#6:7])=[#8:9])=[#8:12]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm643 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:7])=[#8:9].[#8:10]=[#6:11]=[#8:12]>>[H]-[#8:10]-[#6:11](-[#6:8](-[#6:7])=[#8:9])=[#8:12]

Source Full Reactions

EVODEX.1-R6783

Full Reaction Rendering

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