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EVODEX.1-P6543

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@:2]([N:1]([H:30])[H:31])([C:3]([S:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[C:14](=[O:15])[O:16][H:28]>>[N:1]([C:2](=[C:3]([H:26])[H:27])[C:14](=[O:15])[O:16][H:28])([H:30])[H:31].[H][O:5][S:4][C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25]

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-R7120

Full Reaction Rendering

[H][C@:2]([N:1]([H:30])[H:31])([C:3]([S:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[C:14](=[O:15])[O:16][H:28]>>[N:1]([C:2](=[C:3]([H:26])[H:27])[C:14](=[O:15])[O:16][H:28])([H:30])[H:31].[H][O:5][S:4][C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25]