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EVODEX.1-P868

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:15][C:14]1:[C:12]([C:13]([H:32])([H:33])[H:34]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:39])([H:40])[H:41]):[C:16]:1[O:17][C:18]([H:36])([H:37])[H:38].[O:24]=[C:25]([O:26][H:64])[C:27](=[C:28]([C:29](=[O:30])[O:31][H:65])[H:66])[H:67]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:32])([H:33])[H:34])[C:14](=[O:15])[C:16]([O:17][C:18]([H:36])([H:37])[H:38])=[C:19]([O:20][C:21]([H:39])([H:40])[H:41])[C:22]1=[O:23])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][C:27]([C:25](=[O:24])[O:26][H:64])([C:28]([H])([C:29](=[O:30])[O:31][H:65])[H:66])[H:67]

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-R837

Full Reaction Rendering

[H][O:15][C:14]1:[C:12]([C:13]([H:32])([H:33])[H:34]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:39])([H:40])[H:41]):[C:16]:1[O:17][C:18]([H:36])([H:37])[H:38].[O:24]=[C:25]([O:26][H:64])[C:27](=[C:28]([C:29](=[O:30])[O:31][H:65])[H:66])[H:67]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:32])([H:33])[H:34])[C:14](=[O:15])[C:16]([O:17][C:18]([H:36])([H:37])[H:38])=[C:19]([O:20][C:21]([H:39])([H:40])[H:41])[C:22]1=[O:23])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][C:27]([C:25](=[O:24])[O:26][H:64])([C:28]([H])([C:29](=[O:30])[O:31][H:65])[H:66])[H:67]