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EVODEX.1-P2102

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:34][C:32]([C@:30]([C:29]([C:27](=[O:26])[O:28][H:55])([H:59])[H:60])([O:31][H:56])[H:58])=[O:33]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:34][C:32]([C@:30]([C:29]([C:27](=[O:26])[O:28][H:55])([H:59])[H:60])([O:31][H:56])[H:58])=[O:33]):C([H]):C:1OC([H])([H])[H]

Derived Operators

EVODEX.1-F178 - Elemental Balance

O3
C10
H8

EVODEX.1-M122 - Mass Difference

176.04734

EVODEX.1-E863 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:15](-[#6:16])-[H]>>[#6](-[#8]-[#6]1:[#6](-[H]):[#6](-[#6](=[#6](-[#6](=[#8])-[#8:15]-[#6:16])-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]

EVODEX.1-C279 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:34]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:34]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]

EVODEX.1-N313 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:34]-[#6:32]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:34]-[#6:32]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]

EVODEX.1-Em42 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:18]>>[#6]=[#6]-[#6](=[#8])-[#8:17]-[#6:18]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2857

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:35]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C@:11]2([H:36])[O:12][C@@:13]([C:14]([O:15][H:37])([H:38])[H:39])([H:40])[C@:16]([O:17][H:41])([H:42])[C@@:18]([O:19][H:43])([H:44])[C@:20]2([O:21][H:45])[H:46])[H:47])[H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]:1[O:25][H:51])([H:52])([H:53])[H:54].[H][O:34][C:32]([C@:30]([C:29]([C:27](=[O:26])[O:28][H:55])([H:59])[H:60])([O:31][H:56])[H:58])=[O:33]>>[C:1]([O:2][C:3]1:[C:4]([H:35]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:34][C:32]([C@:30]([C:29]([C:27](=[O:26])[O:28][H:55])([H:59])[H:60])([O:31][H:56])[H:58])=[O:33])[H:47])[H:48]):[C:22]([H:49]):[C:23]([H:50]):[C:24]:1[O:25][H:51])([H:52])([H:53])[H:54].[H][O:10][C:11]1([H:36])[O:12][C@@:13]([C:14]([O:15][H:37])([H:38])[H:39])([H:40])[C@:16]([O:17][H:41])([H:42])[C@@:18]([O:19][H:43])([H:44])[C@:20]1([O:21][H:45])[H:46]