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EVODEX.1-P6536

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E264 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]-[#6@:2](-[#6:3](-[#16:4](=[#8:5])-[#6:6])(-[H:18])-[H:19])(-[#6:11]=[#8:12])-[H]>>[#7:1]-[#6:2](=[#6:3](-[H:18])-[H:19])-[#6:11]=[#8:12].[#16:4](-[#8:5]-[H])-[#6:6]

EVODEX.1-C757 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@:2]-[#6:3]-[#16:4]=[#8:5]>>[#6:2]=[#6:3].[H]-[#8:5]-[#16:4]

EVODEX.1-N964 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1])(-[#6:3](-[#16:4](=[#8:5])-[#6:6])(-[H:26])-[H:27])-[#6:14]>>[#7:1]-[#6:2](=[#6:3](-[H:26])-[H:27])-[#6:14].[H]-[#8:5]-[#16:4]-[#6:6]

EVODEX.1-Em783 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3]-[#16:4](=[#8:5])-[#6:6])-[#6:14]=[#8:15]>>[#7:1]-[#6:2](=[#6:3])-[#6:14]=[#8:15].[H]-[#8:5]-[#16:4]-[#6:6]

EVODEX.1-Cm309 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2]-[#6:3]-[#16:4]=[#8:5]>>[#6:2]=[#6:3].[H]-[#8:5]-[#16:4]

EVODEX.1-Nm704 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3]-[#16:4](=[#8:5])-[#6:6])-[#6:14]>>[#7:1]-[#6:2](=[#6:3])-[#6:14].[H]-[#8:5]-[#16:4]-[#6:6]

Source Full Reactions

EVODEX.1-R7114

Full Reaction Rendering

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