EVODEX Logo

EVODEX.1-P4782

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]>>[H][N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]

Derived Operators

EVODEX.1-F138 - Elemental Balance

O-1
C-3
N-1
H-5

EVODEX.1-M45 - Mass Difference

-71.03715000000001

EVODEX.1-E791 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@:5])(-[#6](=[#8])-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:25]>>[#7:6](-[#6@:5])(-[H:25])-[H]

EVODEX.1-C571 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N725 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:7])-[H:28]>>[H]-[#7:6](-[#6@@:7])-[H:28]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5586

Full Reaction Rendering

[N:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][O:18][H:35]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[O:18][H:35])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]