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EVODEX.1-P284

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:7]([C:6]([C:5]([C:4]([C:3]([N:2]([C:1]([H:27])([H:28])[H:29])[H:26])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([N:8]([H:14])[H:15])[C:9](=[O:10])[O:11][H]>>[C:9](=[O:10])=[O:11].O=[C:7]([C:6]([C:5]([C:4]([C:3]([N:2]([C:1]([H:27])([H:28])[H:29])[H:26])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])[N:8]([H:14])[H:15]

Derived Operators

EVODEX.1-F11 - Elemental Balance

O1
H-2

EVODEX.1-M29 - Mass Difference

13.97924

EVODEX.1-E427 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:2]-[#6:3](-[#6:4])(-[#6:11](=[#8:12])-[#8:13]-[H])-[H]>>[#6:11](=[#8:12])=[#8:13].[#7:2]-[#6:3](-[#6:4])=[#8]

EVODEX.1-C203 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@:2]-[#6:11]-[#8:13]-[H]>>[#6:11]=[#8:13].[#8]=[#6:2]

EVODEX.1-N140 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

EVODEX.1-Em223 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

EVODEX.1-Cm48 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]

EVODEX.1-Nm222 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:11](=[#8:12])-[#8:13]-[H]>>[#6:11](=[#8:12])=[#8:13].[#8]=[#6:2](-[#7:1])-[#6:3]

Source Full Reactions

EVODEX.1-R314

Full Reaction Rendering

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