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EVODEX.1-P5857

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N=[C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]([H:13])([H:14])[H:15])[H:21])([C:9](=[O:10])[O:11][H:19])[H:20])[H:18])[H:17].[H][O:12][H]>>[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[O:12])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]

Derived Operators

EVODEX.1-F73 - Elemental Balance

N-1
H-3

EVODEX.1-M12 - Mass Difference

-17.02659

EVODEX.1-E625 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5]-[#6:6](=[#7]-[H])-[H:16].[#8:11](-[H])-[H]>>[#7:5]-[#6:6](=[#8:11])-[H:16]

EVODEX.1-C1020 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7]=[#6:6].[#6@@:4]).[H]-[#8:11]-[H]>>([#6:6]=[#8:11].[#6@:4])

EVODEX.1-N1274 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6:6](-[#7:5]-[#6@@:4](-[#6:2])(-[#6:8])-[H:19])-[H:16].[H]-[#8:11]-[H]>>[#6:2]-[#6@:4](-[#7:5]-[#6:6](=[#8:11])-[H:16])(-[#6:8])-[H:19]

EVODEX.1-Em683 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7]=[#6:6]-[#7:5].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11]

EVODEX.1-Cm276 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]=[#6:6].[H]-[#8:11]-[H]>>[#6:6]=[#8:11]

EVODEX.1-Nm616 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7]=[#6:6]-[#7:5].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11]

Source Full Reactions

EVODEX.1-R6543

Full Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[N:8][H:16])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][O:12][H]>>[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[O:12])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][N:8]([H])[H:16]