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EVODEX.1-P298

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@:2]([H])([N:1]([H:25])[H:26])[C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22]>>O=[C:2]([N:1]([H:25])[H:26])[C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][H:18]):[C:9]([H:19]):[C:10]:1[H:20])([H:21])[H:22]

Derived Operators

EVODEX.1-F63 - Elemental Balance

O-1
C-1
H-2

EVODEX.1-M103 - Mass Difference

-30.01056

EVODEX.1-E600 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H]>>[#7:2]-[#6:3](-[#6:4])=[#8]

EVODEX.1-C208 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3]-[H]>>[#8]=[#6:3]

EVODEX.1-N145 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]

EVODEX.1-Em228 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]

EVODEX.1-Cm186 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:3]-[H]>>[#8]=[#6:3]

EVODEX.1-Nm227 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](=[#8])-[#6:3](-[H])(-[#7:2])-[#6:4]>>[#8]=[#6:3](-[#7:2])-[#6:4]

Source Full Reactions

EVODEX.1-R321

Full Reaction Rendering

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