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EVODEX.1-P5286

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E155 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](=[#8:5])-[H:19].[#6:10]-[#6:11](-[#8:12])(-[H:27])-[H]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[#6:11](-[#6:10])(-[#8:12])-[H:27])-[H:19]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N1149 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:15]=[#6:16](-[#6:17])-[H:22].[H]-[#6:3](-[#6:2])(-[#8:4])-[H:24]>>[H]-[#8:15]-[#6:16](-[#6:3](-[#6:2])(-[#8:4])-[H:24])(-[#6:17])-[H:22]

EVODEX.1-Em658 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]=[#6:16]-[#6:17].[H]-[#6:3](-[#6:2])-[#8:4]>>[H]-[#8:15]-[#6:16](-[#6:3](-[#6:2])-[#8:4])-[#6:17]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm591 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]=[#6:16]-[#6:17].[H]-[#6:3](-[#6:2])-[#8:4]>>[H]-[#8:15]-[#6:16](-[#6:3](-[#6:2])-[#8:4])-[#6:17]

Source Full Reactions

EVODEX.1-R6046

Full Reaction Rendering

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