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EVODEX.1-P1411

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C@@:22]1([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:2[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]1([O:21][H:61])[H:62]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:23][C@@:22]2([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]3:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:3[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]2([O:21][H:61])[H:62]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F206 - Elemental Balance

O2
C9
H6

EVODEX.1-M130 - Mass Difference

146.03678

EVODEX.1-E910 - 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](-[H]):[#6]:1-[H])-[H])-[H]

EVODEX.1-C272 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N304 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:5]-[#6:4]):[#6](-[H]):[#6]:1-[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-R1936

Full Reaction Rendering

[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:1[H:51])[H:52])[H:53])[O:12][C@:13]1([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]([O:21][H:61])([H:62])[C@:22]1([O:23][H:63])[H:64].[H][O:46][C@@:45]1([H:82])[C@@:36]([O:35][C:25](=[O:24])[C:26](=[C:27]([C:28]2:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:2[H:69])[H:70])[H:71])([H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]1([O:44][H:79])[H:80]>>[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:1[H:51])[H:52])[H:53])[O:46][C@@:45]1([H:82])[C@@:36]([O:35][C:25](=[O:24])[C:26](=[C:27]([C:28]2:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:2[H:69])[H:70])[H:71])([H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]1([O:44][H:79])[H:80].[H][O:12][C:13]1([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]([O:21][H:61])([H:62])[C@:22]1([O:23][H:63])[H:64]

EVODEX.1-R1935

Full Reaction Rendering

[H][O:23][C@@:22]1([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:2[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]1([O:21][H:61])[H:62].[O:24]=[C:25]([C:26](=[C:27]([C:28]1:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:1[H:69])[H:70])[H:71])[C@@:35]1([O:36][H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]([O:44][H:79])([H:80])[C@:45]1([O:46][H:81])[H:82]>>[H][C:35]1([O:36][H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]([O:44][H:79])([H:80])[C@:45]1([O:46][H:81])[H:82].[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:1[H:51])[H:52])[H:53])[O:12][C@:13]1([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]([O:21][H:61])([H:62])[C@:22]1([O:23][C:25](=[O:24])[C:26](=[C:27]([C:28]1:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:1[H:69])[H:70])[H:71])[H:64]