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EVODEX.1-P5861

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-E635 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C707 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6:2]>>[#8]=[#6:2]

EVODEX.1-N872 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6:2](-[#7:3])-[H:27]>>[#8]=[#6:2](-[#7:3])-[H:27]

EVODEX.1-Em681 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3]

EVODEX.1-Cm274 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]=[#6:2]>>[#8]=[#6:2]

EVODEX.1-Nm614 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3]

Source Full Reactions

EVODEX.1-R6545

Full Reaction Rendering

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