EVODEX.1-P102

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N80 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:16]=[#8:17].[H]-[#6@:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em177 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:16]=[#8:17].[H]-[#6:4](-[#6:2]=[#8:1])(-[#8:5]-[H])-[#6:6]>>[#8:1]=[#6:2]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:16]-[#8:17]-[H]

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-Nm93 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]

Source Full Reactions

EVODEX.1-R135

Full Reaction Rendering

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