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EVODEX.1-P29

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:74])([H:75])[H:76])([O:3][H])[C@@:4]([O:5][H:62])([C@@:6]([O:7][H:63])([C@:8]([O:9][H:64])([C@@:10]([C:11]([H:65])([H:66])[H:67])([O:12][H:68])[H:69])[H:70])[H:71])[H:72]>>[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:62])([C@@:6]([O:7][H:63])([C@:8]([O:9][H:64])([C@@:10]([C:11]([H:65])([H:66])[H:67])([O:12][H:68])[H:69])[H:70])[H:71])[H:72])([H:74])([H:75])[H:76]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E41 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:51]-[#6@@:52](-[#8:53]-[H])(-[H])-[#6:54]>>[#6:51]-[#6:52](=[#8:53])-[#6:54]

EVODEX.1-C33 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:7]-[#8:8]-[H]>>[#6:7]=[#8:8]

EVODEX.1-N25 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:3](-[#6:2])(-[#8:4]-[H])-[#6@@:5]>>[#6:2]-[#6:3](=[#8:4])-[#6@@:5]

EVODEX.1-Em157 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:16](-[#8:17]-[H])(-[#6:14])-[#6:18]>>[#6:14]-[#6:16](=[#8:17])-[#6:18]

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:50]-[#8:51]-[H]>>[#6:50]=[#8:51]

EVODEX.1-Nm68 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])(-[#8:4]-[H])-[#6:5]>>[#6:2]-[#6:3](=[#8:4])-[#6:5]

Source Full Reactions

EVODEX.1-R36

Full Reaction Rendering

[H][C:2]([C:1]([H:74])([H:75])[H:76])([O:3][H])[C@@:4]([O:5][H:62])([C@@:6]([O:7][H:63])([C@:8]([O:9][H:64])([C@@:10]([C:11]([H:65])([H:66])[H:67])([O:12][H:68])[H:69])[H:70])[H:71])[H:72].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:77]):[C:18]([H:78]):[C:19]([H:79]):[N+:20]([C@:21]2([H:80])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:81])[O:29][P:30](=[O:31])([O:32][H:82])[O:33][C:34]([C@@:35]3([H:83])[O:36][C@:37]([N:38]4:[C:39]([H:84]):[N:40]:[C:41]5:[C:42]([N:43]([H:85])[H:86]):[N:44]:[C:45]([H:87]):[N:46]:[C:47]:4:5)([H:88])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:89])[O:53][H:90])([H:91])[C@@:54]3([O:55][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:56]([O:57][H:99])([H:100])[C@:58]2([O:59][H:101])[H:102]):[C:60]:1[H:103])([H:104])[H:105]>>[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:62])([C@@:6]([O:7][H:63])([C@:8]([O:9][H:64])([C@@:10]([C:11]([H:65])([H:66])[H:67])([O:12][H:68])[H:69])[H:70])[H:71])[H:72])([H:74])([H:75])[H:76].[HH].[H][C:17]1([H:77])[C:16]([C:14]([N:13]([H:104])[H:105])=[O:15])=[C:60]([H:103])[N:20]([C@:21]2([H:80])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:81])[O:29][P:30](=[O:31])([O:32][H:82])[O:33][C:34]([C@@:35]3([H:83])[O:36][C@:37]([N:38]4:[C:39]([H:84]):[N:40]:[C:41]5:[C:42]([N:43]([H:85])[H:86]):[N:44]:[C:45]([H:87]):[N:46]:[C:47]:4:5)([H:88])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:89])[O:53][H:90])([H:91])[C@@:54]3([O:55][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:56]([O:57][H:99])([H:100])[C@:58]2([O:59][H:101])[H:102])[C:19]([H:79])=[C:18]1[H:78]