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EVODEX.1-P499

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([S:3][C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])([H:71])[H:72]>>O=[S:3]([C:2]([C:1]([H:70])([H:71])[H:72])([H:68])[H:69])[C:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67]

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-R476

Full Reaction Rendering

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