EVODEX Logo

EVODEX.1-P3916

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E354 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:27]>>[#6:1]=[#6:2](-[#8]-[H])-[H:27].[#8:3](-[#6:4])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#8:4]>>[H]-[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-N622 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:27]>>[H]-[#8]-[#6:2](=[#6:1])-[H:27].[H]-[#8:3]-[#6:4]

EVODEX.1-Em592 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4]>>[H]-[#8]-[#6:2]=[#6:1].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm531 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4]>>[H]-[#8]-[#6:2]=[#6:1].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4771

Full Reaction Rendering

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