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EVODEX.1-P870

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:7][C:6]1:[C:4]([C:5]([H:24])([H:25])[H:26]):[C:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36]):[C:14]([O:15][H]):[C:11]([O:12][C:13]([H:31])([H:32])[H:33]):[C:8]:1[O:9][C:10]([H:28])([H:29])[H:30].[O:16]=[C:17]([O:18][H:40])[C:19](=[C:20]([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]>>[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:28])([H:29])[H:30])=[C:11]([O:12][C:13]([H:31])([H:32])[H:33])[C:14]1=[O:15])([H:35])[H:36])([H:37])([H:38])[H:39].[H][C:19]([C:17](=[O:16])[O:18][H:40])([C:20]([H])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E329 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]1:[#6:3]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:9]:[#6:11]:1-[#8:12]-[H].[#8:13]=[#6:14]-[#6:16](=[#6:17](-[#6:18]=[#8:19])-[H:37])-[H:38]>>[#6:2]1=[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#6:9]-[#6:11]-1=[#8:12].[#8:13]=[#6:14]-[#6:16](-[#6:17](-[#6:18]=[#8:19])(-[H:37])-[H])(-[H:38])-[H]

EVODEX.1-C241 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N226 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:42])-[H:43]>>([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:42])-[H:43]

EVODEX.1-Em326 - Reaction Operator Em

Reaction Operator Em SMIRKS

[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]>>[#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]

EVODEX.1-Cm222 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm310 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R839

Full Reaction Rendering

[H][O:7][C:6]1:[C:4]([C:5]([H:24])([H:25])[H:26]):[C:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36]):[C:14]([O:15][H]):[C:11]([O:12][C:13]([H:31])([H:32])[H:33]):[C:8]:1[O:9][C:10]([H:28])([H:29])[H:30].[O:16]=[C:17]([O:18][H:40])[C:19](=[C:20]([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]>>[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:28])([H:29])[H:30])=[C:11]([O:12][C:13]([H:31])([H:32])[H:33])[C:14]1=[O:15])([H:35])[H:36])([H:37])([H:38])[H:39].[H][C:19]([C:17](=[O:16])[O:18][H:40])([C:20]([H])([C:21](=[O:22])[O:23][H:41])[H:42])[H:43]