EVODEX Logo

EVODEX.1-P5674

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F169 - Elemental Balance

N1
H3

EVODEX.1-M47 - Mass Difference

17.02659

EVODEX.1-E835 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](=[#8:6])-[#8:7]-[H:8]>>[#7](-[#6:5](-[#6:4])=[#8:6])(-[H])-[H].[#8:7](-[H:8])-[H]

EVODEX.1-C700 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:18]-[#8:20]>>[H]-[#7](-[H])-[#6:18].[H]-[#8:20]

EVODEX.1-N865 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:22]>>[H]-[#7](-[H])-[#6:18](-[#6:17])=[#8:19].[H]-[#8:20]-[H:22]

EVODEX.1-Em672 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]>>[H]-[#7](-[H])-[#6:18](-[#6:17])=[#8:19].[H]-[#8:20]

EVODEX.1-Cm83 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:18]-[#8:20]>>[#7]-[#6:18].[H]-[#8:20]

EVODEX.1-Nm605 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8:20]>>[H]-[#7](-[H])-[#6:18](-[#6:17])=[#8:19].[H]-[#8:20]

Source Full Reactions

EVODEX.1-R6389

Full Reaction Rendering

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