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EVODEX.1-P4267

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OS(=O)(=O)O[C:12]([C@:10]([C@:8]([C@@:6]([C@:4]([C:3](=[O:2])[H:29])([O:5][H:18])[H:28])([O:7][H:19])[H:27])([O:9][H:20])[H:26])([O:11][H:21])[H:25])([H:23])[H:24].[H][O:1][H:30]>>[O:1]([C:12]([C@:10]([C@:8]([C@@:6]([C@:4]([C:3](=[O:2])[H:29])([O:5][H:18])[H:28])([O:7][H:19])[H:27])([O:9][H:20])[H:26])([O:11][H:21])[H:25])([H:23])[H:24])[H:30]

Derived Operators

EVODEX.1-F141 - Elemental Balance

O-4
S-1
H-2

EVODEX.1-M113 - Mass Difference

-97.96736

EVODEX.1-E796 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25](-[#6@@:24])(-[#8]-[#16](=[#8])(=[#8])-[#8]-[H])(-[H:43])-[H:44].[#8:37](-[H:85])-[H]>>[#6:25](-[#6@@:24])(-[#8:37]-[H:85])(-[H:43])-[H:44]

EVODEX.1-C523 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4].[H]-[#8:16]>>[#8:16]-[#6@:4]

EVODEX.1-N1247 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:7](-[#6@@:8])(-[H:51])-[H:52].[H]-[#8:1]-[H:53]>>[#8:1](-[#6:7](-[#6@@:8])(-[H:51])-[H:52])-[H:53]

EVODEX.1-Em630 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm565 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

Source Full Reactions

EVODEX.1-R5114

Full Reaction Rendering

[O:2]=[C:3]([C@:4]([O:5][H:18])([C@@:6]([O:7][H:19])([C@:8]([O:9][H:20])([C@:10]([O:11][H:21])([C:12]([O:13][S:14](=[O:15])(=[O:16])[O:17][H:22])([H:23])[H:24])[H:25])[H:26])[H:27])[H:28])[H:29].[H][O:1][H:30]>>[H][O:13][S:14](=[O:15])(=[O:16])[O:17][H:22].[O:1]([C:12]([C@:10]([C@:8]([C@@:6]([C@:4]([C:3](=[O:2])[H:29])([O:5][H:18])[H:28])([O:7][H:19])[H:27])([O:9][H:20])[H:26])([O:11][H:21])[H:25])([H:23])[H:24])[H:30]