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EVODEX.1-P6503

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:14])[H:15].[O:2]=[C:3]([O:4][H:17])[C:5](=[C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([Br:11]):[C:12]([H:20]):[C:13]:1[H:21])[H:22])[H:23]>>[H][C:6]([C@:5]([N:1]([H:14])[H:15])([C:3](=[O:2])[O:4][H:17])[H:23])([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([Br:11]):[C:12]([H:20]):[C:13]:1[H:21])[H:22]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E165 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[H:13])(-[H:14])-[H].[#8:2]=[#6:3]-[#6:5](=[#6:6](-[#6:7])-[H:21])-[H:22]>>[#7:1](-[#6:5](-[#6:3]=[#8:2])(-[#6:6](-[#6:7])(-[H:21])-[H])-[H:22])(-[H:13])-[H:14]

EVODEX.1-C751 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:6]=[#6:7].[H]-[#7:15]>>[H]-[#6:6]-[#6@@:7]-[#7:15]

EVODEX.1-N958 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#6:7](-[#6:8])-[H:18])-[H:19].[H]-[#7:15](-[H:26])-[H:27]>>[H]-[#6:6](-[#6:5])(-[#6@@:7](-[#6:8])(-[#7:15](-[H:26])-[H:27])-[H:18])-[H:19]

EVODEX.1-Em776 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]=[#6:7]-[#6:8]=[#8:9].[H]-[#7:15]>>[H]-[#6:6](-[#6:5])-[#6:7](-[#6:8]=[#8:9])-[#7:15]

EVODEX.1-Cm304 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]=[#6:7].[H]-[#7:15]>>[H]-[#6:6]-[#6:7]-[#7:15]

EVODEX.1-Nm697 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]=[#6:7]-[#6:8].[H]-[#7:15]>>[H]-[#6:6](-[#6:5])-[#6:7](-[#6:8])-[#7:15]

Source Full Reactions

EVODEX.1-R7084

Full Reaction Rendering

[H][N:1]([H:14])[H:15].[O:2]=[C:3]([O:4][H:17])[C:5](=[C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([Br:11]):[C:12]([H:20]):[C:13]:1[H:21])[H:22])[H:23]>>[H][C:6]([C@:5]([N:1]([H:14])[H:15])([C:3](=[O:2])[O:4][H:17])[H:23])([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([Br:11]):[C:12]([H:20]):[C:13]:1[H:21])[H:22]