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EVODEX.1-P485

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([O:3][P:4](=[S:5])([O:6][C:7]([C:8]([H:65])([H:66])[H:67])([H:68])[H:69])[O:9][C:10]([C:11]([S:12][C:13]([C:14]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])([H:82])[H:83]>>O=[S:12]([C:11]([C:10]([O:9][P:4]([O:3][C:2]([C:1]([H:81])([H:82])[H:83])([H:79])[H:80])(=[S:5])[O:6][C:7]([C:8]([H:65])([H:66])[H:67])([H:68])[H:69])([H:77])[H:78])([H:75])[H:76])[C:13]([C:14]([H:70])([H:71])[H:72])([H:73])[H:74]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E408 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5]>>[#6:3]-[#16:4](-[#6:5])=[#8]

EVODEX.1-C211 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:3]>>[#8]=[#16:3]

EVODEX.1-N186 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16@@:3](-[#6:2])-[#6:4]

EVODEX.1-Em268 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16:3](-[#6:2])-[#6:4]

EVODEX.1-Cm189 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16:3]>>[#8]=[#16:3]

EVODEX.1-Nm266 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#16:3]-[#6:4]>>[#8]=[#16:3](-[#6:2])-[#6:4]

Source Full Reactions

EVODEX.1-R466

Full Reaction Rendering

[C:1]([C:2]([O:3][P:4](=[S:5])([O:6][C:7]([C:8]([H:65])([H:66])[H:67])([H:68])[H:69])[O:9][C:10]([C:11]([S:12][C:13]([C:14]([H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])([H:82])[H:83].[HH].[H][C:62]1([H:110])[C:18]([C:16]([N:15]([H:112])[H:113])=[O:17])=[C:19]([H:84])[N:20]([C@:21]2([H:85])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:86])[O:29][P:30](=[O:31])([O:32][H:87])[O:33][C:34]([C@@:35]3([H:88])[O:36][C@:37]([N:38]4:[C:39]([H:89]):[N:40]:[C:41]5:[C:42]([N:43]([H:90])[H:91]):[N:44]:[C:45]([H:92]):[N:46]:[C:47]:4:5)([H:93])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:94])[O:53][H:95])([H:96])[C@@:54]3([O:55][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[C@:56]([O:57][H:104])([H:105])[C@:58]2([O:59][H:106])[H:107])[C:60]([H:108])=[C:61]1[H:109].[O:63]=[O:64]>>[C:1]([C:2]([O:3][P:4](=[S:5])([O:6][C:7]([C:8]([H:65])([H:66])[H:67])([H:68])[H:69])[O:9][C:10]([C:11]([S:12]([C:13]([C:14]([H:70])([H:71])[H:72])([H:73])[H:74])=[O:64])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])([H:82])[H:83].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:84]):[N+:20]([C@:21]2([H:85])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:86])[O:29][P:30](=[O:31])([O:32][H:87])[O:33][C:34]([C@@:35]3([H:88])[O:36][C@:37]([N:38]4:[C:39]([H:89]):[N:40]:[C:41]5:[C:42]([N:43]([H:90])[H:91]):[N:44]:[C:45]([H:92]):[N:46]:[C:47]:4:5)([H:93])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:94])[O:53][H:95])([H:96])[C@@:54]3([O:55][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[C@:56]([O:57][H:104])([H:105])[C@:58]2([O:59][H:106])[H:107]):[C:60]([H:108]):[C:61]([H:109]):[C:62]:1[H:110])([H:112])[H:113].[H][O:63][H]