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EVODEX.1-P511

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[Cl:1][C:2]([S:3][C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])[H:66]>>O=[S@@:3]([C:2]([Cl:1])([H:65])[H:66])[C:4]1:[C:5]([H:60]):[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]:1[H:64]

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-R487

Full Reaction Rendering

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