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EVODEX.1-P990

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:10])([H:11])([H:12])[H:13].[H][O:8][O:9][H]>>[H]N([H])[C@@:2]([H])([C:1]([H:11])([H:12])[H:13])[C:4](=[O:5])[O:6][H:10].[O:8]=[O:9].[H][O:3][H]

Derived Operators

EVODEX.1-F169 - Elemental Balance

N1
H3

EVODEX.1-M47 - Mass Difference

17.02659

EVODEX.1-E838 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H])-[H].[#8:9]=[#8:10].[#8:6](-[H])-[H]

EVODEX.1-C106 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N240 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Em362 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Cm131 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]=[#8:8].[H]-[#8:11]-[#8:12]-[H]>>[#7]-[#6:7]-[H].[#8:11]=[#8:12].[H]-[#8:8]-[H]

EVODEX.1-Nm322 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R963

Full Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:10])([H:11])([H:12])[H:13].[H][N:7]([H:14])[H:15].[H][O:8][O:9][H]>>[H][C@:2]([C:1]([H:11])([H:12])[H:13])([C:4](=[O:5])[O:6][H:10])[N:7]([H:14])[H:15].[O:8]=[O:9].[H][O:3][H]