EVODEX Logo

EVODEX.1-P985

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([O:4][H:18])[C:5](=[O:6])[C:7]([C:8]1:[C:9]([H:19]):[N:10]([H:20]):[C:11]([H:21]):[N:12]:1)([H:22])[H:23]>>[H]N([H])[C@:5]([H])([C:3](=[O:2])[O:4][H:18])[C:7]([C:8]1:[C:9]([H:19]):[N:10]([H:20]):[C:11]([H:21]):[N:12]:1)([H:22])[H:23].[H][O:6][H]

Derived Operators

EVODEX.1-F190 - Elemental Balance

N1
H5

EVODEX.1-M70 - Mass Difference

19.04225

EVODEX.1-C58 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:2]=[#6:3]>>[H]-[#7](-[H])-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-N36 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Em329 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Cm95 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:2]=[#6:3]>>[#7]-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-Nm108 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R961

Full Reaction Rendering

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