EVODEX.1-P772

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C100 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-N30 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]-[H:18]>>[#6:3]-[#6:5](=[#8:6])-[#8:7]-[H:18].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Em313 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:3]=[#6:2])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:2]=[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Cm122 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Nm101 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

Source Full Reactions

EVODEX.1-R737

Full Reaction Rendering

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