EVODEX.1-P100

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:13]=[O:14].[H][C@@:3]([C:2](=[O:1])[H:26])([O:4][H])[C@@:5]([O:6][H:16])([C@:7]([O:8][H:17])([C@:9]([O:10][H:18])([C:11]([O:12][H:19])([H:20])[H:21])[H:22])[H:23])[H:24]>>[O:1]=[C:2]([C:3](=[O:4])[C@@:5]([O:6][H:16])([C@:7]([O:8][H:17])([C@:9]([O:10][H:18])([C:11]([O:12][H:19])([H:20])[H:21])[H:22])[H:23])[H:24])[H:26].[H][O:13][O:14][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-R133

Full Reaction Rendering

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