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EVODEX.1-P6281

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E168 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]-[#6:2](-[#6:3])(-[H:17])-[H].[#8:6]=[#6:7](-[#6:8])-[H:26]>>[#7:1]-[#6@:2](-[#6:3])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:26])-[H:17]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N936 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[H:17].[#8:6]=[#6:7](-[#6:8])-[H:26]>>[H]-[#8:6]-[#6@:7](-[#6@:2](-[#7:1])(-[#6:3])-[H:17])(-[#6:8])-[H:26]

EVODEX.1-Em743 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm672 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6885

Full Reaction Rendering

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