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EVODEX.1-P469

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]1([H:59])[C:4]([H:60])([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]1([H:68])[H:69])([H:70])([H:71])[H:72].[O:57]=[O:58]>>[C:1]([S:2]([C:3]1([H:59])[C:4]([H:60])([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]1([H:68])[H:69])=[O:58])([H:70])([H:71])[H:72].[H][O:57][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E14 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8:59]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60].[#8:59](-[H])-[H]

EVODEX.1-C79 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#8:5].[H]-[#8:16]>>[#16:2]-[#8:16].[H]-[#8:5]

EVODEX.1-N119 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

EVODEX.1-Em198 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

EVODEX.1-Cm64 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:11].[#8:40]-[#16:41]>>[#8:11]-[#16:41].[H]-[#8:40]

EVODEX.1-Nm198 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#16:7]-[#6:8].[#8:59]=[#8:60]>>[#6:6]-[#16:7](-[#6:8])=[#8:60].[H]-[#8:59]-[H]

Source Full Reactions

EVODEX.1-R446

Full Reaction Rendering

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