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EVODEX.1-P6598

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]1([H:21])[C:2](=[O:1])[C:20]2:[C:13](:[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:2[O:19][H:32])[O:12][C@@:4]1([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([O:9][H:25]):[C:10]([H:26]):[C:11]:1[H:27])[H:28]>>[H][O:12][C:13]1:[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]([O:19][H:32]):[C:20]:1[C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([O:9][H:25]):[C:10]([H:26]):[C:11]:1[H:27])[H:28])[H:21]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E232 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@:6](-[H:24])(-[#6:7](-[H:25])(-[H])-[#6:8]=[#8:9])-[#8:18]-[#6:17]>>([#6:5]-[#6:6](=[#6:7](-[#6:8]=[#8:9])-[H:25])-[H:24].[#6:17]-[#8:18]-[H])

EVODEX.1-C762 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:3]-[#6@@:4]-[#8:11]>>([H]-[#8:11].[#6:3]=[#6:4])

EVODEX.1-N973 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[H:19])(-[#6:2])-[#6@:4](-[#8:11]-[#6:12])(-[#6:5])-[H:26]>>([H]-[#8:11]-[#6:12].[#6:2]-[#6:3](=[#6:4](-[#6:5])-[H:26])-[H:19])

EVODEX.1-Em790 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])-[#6:4](-[#8:11]-[#6:12])-[#6:5]>>([H]-[#8:11]-[#6:12].[#6:2](=[#8:1])-[#6:3]=[#6:4]-[#6:5])

EVODEX.1-Cm314 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:3]-[#6:4]-[#8:11]>>([H]-[#8:11].[#6:3]=[#6:4])

EVODEX.1-Nm711 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])-[#6:4](-[#8:11]-[#6:12])-[#6:5]>>([H]-[#8:11]-[#6:12].[#6:2]-[#6:3]=[#6:4]-[#6:5])

Source Full Reactions

EVODEX.1-R7179

Full Reaction Rendering

[H][C:3]1([H:21])[C:2](=[O:1])[C:20]2:[C:13](:[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]:2[O:19][H:32])[O:12][C@@:4]1([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([O:9][H:25]):[C:10]([H:26]):[C:11]:1[H:27])[H:28]>>[H][O:12][C:13]1:[C:14]([H:29]):[C:15]([O:16][H:30]):[C:17]([H:31]):[C:18]([O:19][H:32]):[C:20]:1[C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:23]):[C:7]([H:24]):[C:8]([O:9][H:25]):[C:10]([H:26]):[C:11]:1[H:27])[H:28])[H:21]