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EVODEX.1-P869

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]1=[C:4]([C:5]([H:24])([H:25])[H:26])[C:6](=[O:7])[C:8]([O:9][C:10]([H:27])([H:28])[H:29])=[C:11]([O:12][C:13]([H:30])([H:31])[H:32])[C:14]1=[O:15])([H:33])[H:34])([H:35])([H:36])[H:37].[H][C:19]([C:17](=[O:16])[O:18][H:38])([C:20]([H])([C:21](=[O:22])[O:23][H:39])[H:40])[H:42]>>[H][O:7][C:6]1:[C:4]([C:5]([H:24])([H:25])[H:26]):[C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34]):[C:14]([O:15][H]):[C:11]([O:12][C:13]([H:30])([H:31])[H:32]):[C:8]:1[O:9][C:10]([H:27])([H:28])[H:29].[O:16]=[C:17]([O:18][H:38])[C:19](=[C:20]([C:21](=[O:22])[O:23][H:39])[H:40])[H:42]

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-R838

Full Reaction Rendering

[C:1]([C:2]([C:3]1=[C:4]([C:5]([H:24])([H:25])[H:26])[C:6](=[O:7])[C:8]([O:9][C:10]([H:27])([H:28])[H:29])=[C:11]([O:12][C:13]([H:30])([H:31])[H:32])[C:14]1=[O:15])([H:33])[H:34])([H:35])([H:36])[H:37].[H][C:19]([C:17](=[O:16])[O:18][H:38])([C:20]([H])([C:21](=[O:22])[O:23][H:39])[H:40])[H:42]>>[H][O:7][C:6]1:[C:4]([C:5]([H:24])([H:25])[H:26]):[C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34]):[C:14]([O:15][H]):[C:11]([O:12][C:13]([H:30])([H:31])[H:32]):[C:8]:1[O:9][C:10]([H:27])([H:28])[H:29].[O:16]=[C:17]([O:18][H:38])[C:19](=[C:20]([C:21](=[O:22])[O:23][H:39])[H:40])[H:42]