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EVODEX.1-P4048

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:26][C:27]([C:28]([C:29]2:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:2[H:57])([H:58])[H:59])([H:60])[H:61]):C([H]):C:1O[H]

Derived Operators

EVODEX.1-F205 - Elemental Balance

C9
O3
H6

EVODEX.1-M129 - Mass Difference

162.03168

EVODEX.1-E908 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#8:5]-[H]>>[#6:4]-[#8:5]-[#6](=[#8])-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[#8]-[H]):[#6]:1-[H])-[H])-[H]

EVODEX.1-C273 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:26]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-N305 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:26]-[#6:27]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]-[#6:27]):[#6](-[H]):[#6]:1-[#8]-[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-R4891

Full Reaction Rendering

[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:35]):[C:7]([H:36]):[C:8]([O:9][H:37]):[C:10]([O:11][H:38]):[C:12]:1[H:39])[H:40])[H:41])[O:13][C:14]1([H:42])[C:15]([H:43])([H:44])[C@:16]([O:17][H:45])([C:18](=[O:19])[O:20][H:46])[C:21]([H:47])([H:48])[C@:22]([O:23][H:49])([H:50])[C@@:24]1([O:25][H:51])[H:52].[H][O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61]>>[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:35]):[C:7]([H:36]):[C:8]([O:9][H:37]):[C:10]([O:11][H:38]):[C:12]:1[H:39])[H:40])[H:41])[O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61].[H][O:13][C@@:14]1([H:42])[C:15]([H:43])([H:44])[C@:16]([O:17][H:45])([C:18](=[O:19])[O:20][H:46])[C:21]([H:47])([H:48])[C@:22]([O:23][H:49])([H:50])[C@@:24]1([O:25][H:51])[H:52]