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EVODEX.1-P5545

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])N([H])[C:7](=[O:8])[C:9]([Cl:10])([H:12])[H:13].[H][O:1][H:17]>>[O:1]([C:7](=[O:8])[C:9]([Cl:10])([H:12])[H:13])[H:17]

Derived Operators

EVODEX.1-F261 - Elemental Balance

O-2
C-2
N-1
H-5

EVODEX.1-M90 - Mass Difference

-75.03205000000001

EVODEX.1-E990 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:1](-[H:26])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:26]

EVODEX.1-C544 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29].[H]-[#8:36]>>[#6:29]-[#8:36]

EVODEX.1-N695 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29](-[#6:2])=[#8:30].[H]-[#8:36]-[H:86]>>[#6:2]-[#6:29](=[#8:30])-[#8:36]-[H:86]

EVODEX.1-Em2 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]

EVODEX.1-Cm3 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:4].[H]-[#8:13]>>[#6:4]-[#8:13]

EVODEX.1-Nm2 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]

Source Full Reactions

EVODEX.1-R6283

Full Reaction Rendering

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