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EVODEX.1-P1049

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:17])[H:18])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25]>>O=[C:2]([C:1]([H:27])([H:28])[H:29])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[H][N:3]([H:17])[H:18]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E421 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6@:14](-[#7:15](-[H:27])-[H:28])(-[#6:16])-[H].[#6:1]-[#6@:2](-[#7:3](-[H:40])-[H:41])(-[#6:4])-[H]>>[#6:13]-[#6:14](-[#6:16])=[#8].[#6:1]-[#6:2](-[#6:4])=[#8].[#7:15](-[H:27])(-[H:28])-[H].[#7:3](-[H:40])(-[H:41])-[H]

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N40 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1](-[H:29])-[H:30]

EVODEX.1-Em336 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm113 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R1006

Full Reaction Rendering

[H][C@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:17])[H:18])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[O:15]=[O:16].[H][O:14][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25])=[O:14])([H:27])([H:28])[H:29].[H][N:3]([H:17])[H:18].[H][O:15][O:16][H]