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EVODEX.1-P404

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].O=[O:20]>>[C:1]([S:2]([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])=[O:20])([H:27])([H:28])[H:29]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E437 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-C197 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:4].[#8]=[#8:60]>>[#8:60]=[#16:4]

EVODEX.1-N120 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-Em199 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

EVODEX.1-Cm116 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#16:20].[H]-[#8:32]>>[#16:20]-[#8:32]

EVODEX.1-Nm199 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

Source Full Reactions

EVODEX.1-R397

Full Reaction Rendering

[C:1]([S:2][C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[O:19]=[O:20].[H][O:18][C:16]([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:30])([H:34])[H:35])([H:32])[H:33])=[O:15])=[O:17]>>[C:16](=[O:17])=[O:18].[C:1]([S:2]([C:3]([C@:4]([N:5]([H:21])[H:22])([C:6](=[O:7])[O:8][H:23])[H:24])([H:25])[H:26])=[O:20])([H:27])([H:28])[H:29].[H][O:19][C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:30])([H:34])[H:35])([H:32])[H:33])=[O:15]