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EVODEX.1-P931

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:13])([H:14])[H:15])([H:16])[H:17].[H][N:1]([H:18])[H:19].[H][O:11][O:12][H]>>[H][C@@:6]([N:1]([H:18])[H:19])([C:5]([C:3]([N:2]([H:16])[H:17])=[O:4])([H:14])[H:15])[C:8](=[O:9])[O:10][H:13].[O:11]=[O:12].[H][O:7][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E262 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[H:11])(-[H:12])-[H].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7:1](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H:11])-[H:12].[#8:9]=[#8:10].[#8:6](-[H])-[H]

EVODEX.1-C103 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N231 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[H:19])-[H:20].[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6@@:5](-[#7:1](-[H:19])-[H:20])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Em346 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3]=[#8:2])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

EVODEX.1-Cm128 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm313 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1].[#6:3]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#6:5](-[#7:1])(-[#6:3])-[#6:7].[#8:17]=[#8:18].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R916

Full Reaction Rendering

[N:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:13])([H:14])[H:15])([H:16])[H:17].[H][N:1]([H:18])[H:19].[H][O:11][O:12][H]>>[H][C@@:6]([N:1]([H:18])[H:19])([C:5]([C:3]([N:2]([H:16])[H:17])=[O:4])([H:14])[H:15])[C:8](=[O:9])[O:10][H:13].[O:11]=[O:12].[H][O:7][H]