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EVODEX.1-P4872

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C([H]):C([H]):C(C(=O)[N:3]([C@:2]([C:1]([H:24])([H:25])[H:26])([C:12](=[O:13])[O:14][H:22])[H:23])[H:21]):C([H]):C:1[H]>>[H][N:3]([C@:2]([C:1]([H:24])([H:25])[H:26])([C:12](=[O:13])[O:14][H:22])[H:23])[H:21]

Derived Operators

EVODEX.1-F225 - Elemental Balance

O-1
C-7
H-4

EVODEX.1-M288 - Mass Difference

-104.02622

EVODEX.1-E942 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#7:9](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H:26]>>[#6:8]-[#7:9](-[H:26])-[H]

EVODEX.1-C612 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7:4]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:4]

EVODEX.1-N767 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7:4](-[#6:5])-[H:35]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:4](-[#6:5])-[H:35]

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-R5665

Full Reaction Rendering

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