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EVODEX.1-P6487

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:2]([C:1]([H:13])([H:14])[H:15])[H:11]>>[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:2]([C:1]([H:13])([H:14])[H:15])[H:11]

Derived Operators

EVODEX.1-F156 - Elemental Balance

C4
O4
H4

EVODEX.1-M188 - Mass Difference

116.01092

EVODEX.1-E819 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:46])-[H]>>[#7:1](-[#6:2])(-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])-[H:46]

EVODEX.1-C749 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]

EVODEX.1-N956 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:46]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[#6:2])-[H:46]

EVODEX.1-Em85 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1]-[#6:2]>>[#6]-[#6](-[H])(-[#6])-[#7:1]-[#6:2]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm121 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1]-[#6:2]>>[#6]-[#6](-[H])(-[#6])-[#7:1]-[#6:2]

Source Full Reactions

EVODEX.1-R7069

Full Reaction Rendering

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