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EVODEX.1-P6278

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E104 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:13])(-[H:14])-[H].[#6:8]-[#6:10](=[#8:11])-[H:19]>>[#6:1](-[#6:2])(-[#6:10](-[#6:8])(-[#8:11]-[H])-[H:19])(-[H:13])-[H:14]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N929 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:15])-[H:16].[#6:11]-[#6:12](=[#8:13])-[H:18]>>[H]-[#8:13]-[#6:12](-[#6:1](-[#6:2])(-[H:15])-[H:16])(-[#6:11])-[H:18]

EVODEX.1-Em737 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#6:11]-[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12](-[#6:1]-[#6:2])-[#6:11]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm666 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#6:11]-[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12](-[#6:1]-[#6:2])-[#6:11]

Source Full Reactions

EVODEX.1-R6882

Full Reaction Rendering

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