EVODEX Logo

EVODEX.1-P5782

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[H:20])([H:21])[H:22])([C:10](=[O:11])[O:12][H:23])[H:24])[H:25]>>[H]C(=O)[N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[H:20])([H:21])[H:22])([C:10](=[O:11])[O:12][H:23])[H:24])[H:25]

Derived Operators

EVODEX.1-F36 - Elemental Balance

O1
C1

EVODEX.1-M205 - Mass Difference

27.9949

EVODEX.1-E507 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:19])-[H]>>[#7:1](-[#6:2])(-[#6](=[#8])-[H])-[H:19]

EVODEX.1-C261 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N285 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@:5])-[H:16]>>[H]-[#6](=[#8])-[#7:6](-[#6@:5])-[H:16]

EVODEX.1-Em408 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm368 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6478

Full Reaction Rendering

[H][N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[H:20])([H:21])[H:22])([C:10](=[O:11])[O:12][H:23])[H:24])[H:25].[O:13]=[C:14]([O:15][H:27])[H:28]>>[N:1]([C@:2]([C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]:1[H:20])([H:21])[H:22])([C:10](=[O:11])[O:12][H:23])[H:24])([C:14](=[O:13])[H:28])[H:25].[H][O:15][H:27]