EVODEX Logo

EVODEX.1-P471

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7](=[N:8][O:9][S:10](=[O:11])(=[O:12])[O:13][H:76])[S:14][C@:15]1([H:77])[O:16][C@@:17]([C:18]([O:19][H:78])([H:79])[H:80])([H:81])[C@:20]([O:21][H:82])([H:83])[C@@:22]([O:23][H:84])([H:85])[C@:24]1([O:25][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])([H:97])[H:98].[O:74]=[O:75]>>[C:1]([S@:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[N:8][O:9][S:10](=[O:11])(=[O:12])[O:13][H:76])[S:14][C@:15]1([H:77])[O:16][C@@:17]([C:18]([O:19][H:78])([H:79])[H:80])([H:81])[C@:20]([O:21][H:82])([H:83])[C@@:22]([O:23][H:84])([H:85])[C@:24]1([O:25][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])=[O:74])([H:96])([H:97])[H:98].[H][O:75][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-R449

Full Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7](=[N:8][O:9][S:10](=[O:11])(=[O:12])[O:13][H:76])[S:14][C@:15]1([H:77])[O:16][C@@:17]([C:18]([O:19][H:78])([H:79])[H:80])([H:81])[C@:20]([O:21][H:82])([H:83])[C@@:22]([O:23][H:84])([H:85])[C@:24]1([O:25][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])([H:97])[H:98].[HH].[H][C:73]1([H:125])[C:29]([C:27]([N:26]([H:127])[H:128])=[O:28])=[C:30]([H:99])[N:31]([C@:32]2([H:100])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:101])[O:40][P:41](=[O:42])([O:43][H:102])[O:44][C:45]([C@@:46]3([H:103])[O:47][C@:48]([N:49]4:[C:50]([H:104]):[N:51]:[C:52]5:[C:53]([N:54]([H:105])[H:106]):[N:55]:[C:56]([H:107]):[N:57]:[C:58]:4:5)([H:108])[C@@:59]([O:60][P:61](=[O:62])([O:63][H:109])[O:64][H:110])([H:111])[C@@:65]3([O:66][H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[C@:67]([O:68][H:119])([H:120])[C@:69]2([O:70][H:121])[H:122])[C:71]([H:123])=[C:72]1[H:124].[O:74]=[O:75]>>[C:1]([S@:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[N:8][O:9][S:10](=[O:11])(=[O:12])[O:13][H:76])[S:14][C@:15]1([H:77])[O:16][C@@:17]([C:18]([O:19][H:78])([H:79])[H:80])([H:81])[C@:20]([O:21][H:82])([H:83])[C@@:22]([O:23][H:84])([H:85])[C@:24]1([O:25][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])=[O:74])([H:96])([H:97])[H:98].[N:26]([C:27](=[O:28])[C:29]1:[C:30]([H:99]):[N+:31]([C@:32]2([H:100])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:101])[O:40][P:41](=[O:42])([O:43][H:102])[O:44][C:45]([C@@:46]3([H:103])[O:47][C@:48]([N:49]4:[C:50]([H:104]):[N:51]:[C:52]5:[C:53]([N:54]([H:105])[H:106]):[N:55]:[C:56]([H:107]):[N:57]:[C:58]:4:5)([H:108])[C@@:59]([O:60][P:61](=[O:62])([O:63][H:109])[O:64][H:110])([H:111])[C@@:65]3([O:66][H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[C@:67]([O:68][H:119])([H:120])[C@:69]2([O:70][H:121])[H:122]):[C:71]([H:123]):[C:72]([H:124]):[C:73]:1[H:125])([H:127])[H:128].[H][O:75][H]