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EVODEX.1-P103

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-C33 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N25 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:3](-[#6:2])(-[#8:4]-[H])-[#6@@:5]>>[#6:2]-[#6:3](=[#8:4])-[#6@@:5]

EVODEX.1-Em164 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:50]-[#8:51]-[H]>>[#6:50]=[#8:51]

EVODEX.1-Nm68 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])(-[#8:4]-[H])-[#6:5]>>[#6:2]-[#6:3](=[#8:4])-[#6:5]

Source Full Reactions

EVODEX.1-R136

Full Reaction Rendering

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