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EVODEX.1-P5538

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F37 - Elemental Balance

O-1
C-1

EVODEX.1-M56 - Mass Difference

-27.9949

EVODEX.1-E511 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#7:6](-[#6](=[#8])-[H])-[H:37])(-[#6:9])-[H:57]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57]

EVODEX.1-C689 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N850 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](=[#8])-[#7:4](-[#6:5](-[#6:6])(-[#6:10])-[H:24])-[H:25]>>[H]-[#7:4](-[#6@:5](-[#6:6])(-[#6:10])-[H:24])-[H:25]

EVODEX.1-Em88 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm124 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6276

Full Reaction Rendering

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