EVODEX Logo

EVODEX.1-P6268

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:7]=[C:8]([C:9]([N:10]([C:11](=[O:12])[H:19])[H:20])([H:21])[H:22])[H:23]>>[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C:8]([O:7][H])([C:9]([N:10]([C:11](=[O:12])[H:19])[H:20])([H:21])[H:22])[H:23]

Derived Operators

EVODEX.1-F54 - Elemental Balance

O3
C3
H6

EVODEX.1-M213 - Mass Difference

90.03168000000001

EVODEX.1-E576 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:7]=[#6:8](-[#6:9])-[H:23]>>[#8]=[#6](-[#6@](-[#8]-[H])(-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23])-[H])-[#6](-[#8]-[H])(-[H])-[H]

EVODEX.1-C1014 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1267 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7]=[#6:8](-[#6:9])-[H:23]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23]

EVODEX.1-Em72 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]=[#8:11]>>[#6]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm86 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6872

Full Reaction Rendering

[H][C:3]([C:2](=[O:1])[C:5]([O:6][H:16])([H:17])[H:18])([O:4][H:13])[H:14].[O:7]=[C:8]([C:9]([N:10]([C:11](=[O:12])[H:19])[H:20])([H:21])[H:22])[H:23]>>[H][O:7][C:8]([C@:3]([C:2](=[O:1])[C:5]([O:6][H:16])([H:17])[H:18])([O:4][H:13])[H:14])([C:9]([N:10]([C:11](=[O:12])[H:19])[H:20])([H:21])[H:22])[H:23]