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EVODEX.1-P145

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E99 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#6:13](-[#8:14]-[H])(-[H:25])-[H].[#8:17]=[#8:18]>>[#6:12]-[#6:13](=[#8:14])-[H:25].[#8:17](-[#8:18]-[H])-[H]

EVODEX.1-C40 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-N81 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#6:5])-[H:21]>>[#8:3]=[#6:4](-[#6:5])-[H:21].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Em178 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#8:2].[H]-[#6:19](-[#6:18])-[#8:20]-[H]>>[H]-[#8:1]-[#8:2]-[H].[#6:18]-[#6:19]=[#8:20]

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Nm94 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R187

Full Reaction Rendering

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