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EVODEX.1-P866

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E328 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:10]-[#6:26]-1=[#8:27].[#8:28]=[#6:29]-[#6:31](-[#6:32](-[#6:33]=[#8:34])(-[H:71])-[H])(-[H:73])-[H]>>[#6:3]1:[#6:4]:[#6:6](-[#8:7]-[H]):[#6:8]:[#6:10]:[#6:26]:1-[#8:27]-[H].[#8:28]=[#6:29]-[#6:31](=[#6:32](-[#6:33]=[#8:34])-[H:71])-[H:73]

EVODEX.1-C240 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]>>([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]

EVODEX.1-N225 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:40])-[H:42]>>([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:40])-[H:42]

EVODEX.1-Em325 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:11]-[#6:14]-1=[#8:15].[H]-[#6:19](-[#6:17]=[#8:16])-[#6:20](-[H])-[#6:21]=[#8:22]>>[H]-[#8:7]-[#6:6]1:[#6:4]:[#6:3]:[#6:14](-[#8:15]-[H]):[#6:11]:[#6:8]:1.[#8:16]=[#6:17]-[#6:19]=[#6:20]-[#6:21]=[#8:22]

EVODEX.1-Cm221 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]>>([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]

EVODEX.1-Nm309 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])-[#6:20](-[H])-[#6:21]>>([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19]=[#6:20]-[#6:21]

Source Full Reactions

EVODEX.1-R834

Full Reaction Rendering

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