EVODEX Logo

EVODEX.1-P4034

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4]([O:5][H:17])([C@@:6]([O:7][H:18])([C@@:8]([O:9][H:19])([C@:10]([O:11][H:20])([C@@:12]([O:13][H:21])([C:14](=[O:15])[H:22])[H:23])[H:24])[H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:16][H:31]>>[H][C:4]([O:5][H:17])([C@@:6]([O:7][H:18])([C@@:8]([O:9][H:19])([C@:10]([O:11][H:20])([C@@:12]([O:13][H:21])([C:14](=[O:15])[H:22])[H:23])[H:24])[H:25])[H:26])[H:27].[C:1]([C:2](=[O:3])[O:16][H:31])([H:28])([H:29])[H:30]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E233 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30].[#8:24](-[H:66])-[H]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8:24]-[H:66]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N641 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])(-[#6:20])-[H:28].[H]-[#8:22]-[H:60]>>[H]-[#6:18](-[#8:19])(-[#6:20])-[H:28].[#6:15]-[#6:16](=[#8:17])-[#8:22]-[H:60]

EVODEX.1-Em607 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm542 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#6:18](-[#8:19])-[#6:20].[H]-[#8:22]>>[H]-[#6:18](-[#8:19])-[#6:20].[#6:15]-[#6:16](=[#8:17])-[#8:22]

Source Full Reactions

EVODEX.1-R4878

Full Reaction Rendering

[C:1]([C:2](=[O:3])[C:4]([O:5][H:17])([C@@:6]([O:7][H:18])([C@@:8]([O:9][H:19])([C@:10]([O:11][H:20])([C@@:12]([O:13][H:21])([C:14](=[O:15])[H:22])[H:23])[H:24])[H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:16][H:31]>>[H][C:4]([O:5][H:17])([C@@:6]([O:7][H:18])([C@@:8]([O:9][H:19])([C@:10]([O:11][H:20])([C@@:12]([O:13][H:21])([C:14](=[O:15])[H:22])[H:23])[H:24])[H:25])[H:26])[H:27].[C:1]([C:2](=[O:3])[O:16][H:31])([H:28])([H:29])[H:30]