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EVODEX.1-P1055

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28]>>[H]N([H])[C:3]([H])([C:4]([C:5]1:[C:6]([H:20]):[N:7]([H:21]):[C:8]2:[C:9]([H:22]):[C:10]([H:23]):[C:11]([O:12][H:24]):[C:13]([H:25]):[C:14]:1:2)([H:26])[H:27])[H:28].[H][O:2][H]

Derived Operators

EVODEX.1-F190 - Elemental Balance

N1
H5

EVODEX.1-M70 - Mass Difference

19.04225

EVODEX.1-E886 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:18]-[#6:19](=[#8:20])-[H:31]>>[#6:18]-[#6:19](-[#7](-[H])-[H])(-[H:31])-[H].[#8:20](-[H])-[H]

EVODEX.1-C58 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N247 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:2]=[#6:3](-[#6:4])-[H:20]>>[H]-[#7](-[H])-[#6:3](-[H])(-[#6:4])-[H:20].[H]-[#8:2]-[H]

EVODEX.1-Em369 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm95 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:2]=[#6:3]>>[#7]-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-Nm329 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1008

Full Reaction Rendering

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