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EVODEX.1-P2667

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([N:20]([C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:89]):[C:29]:1[H:90])[H:91])([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])([H:100])[H:101].[H][S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:145])([H:146])[H:147])([C:32]([H:102])([H:103])[H:104])[H:144])([H:142])[H:143])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:135])([H:136])[H:137])([C:75](=[O:76])[O:77][H:138])[H:139])[H:140])[H:141])[H:134])=[O:37])([C:66]([C:67]([H:126])([H:127])[H:128])([C:68]([H:129])([H:130])[H:131])[H:132])[H:133])[H:125])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:108]):[C:55]([H:109]):[C:56]([H:110]):[C:57]2:[C:58]([N:59]([C:60]([H:111])([H:112])[H:113])[C:61]([H:114])([H:115])[H:116]):[C:62]([H:117]):[C:63]([H:118]):[C:64]([H:119]):[C:65]:1:2)[H:120])([H:121])[H:122])[H:123])[H:124])([H:106])[H:107]>>[C:1]([C:2](=[C:3]([C:4]([S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:145])([H:146])[H:147])([C:32]([H:102])([H:103])[H:104])[H:144])([H:142])[H:143])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:135])([H:136])[H:137])([C:75](=[O:76])[O:77][H:138])[H:139])[H:140])[H:141])[H:134])=[O:37])([C:66]([C:67]([H:126])([H:127])[H:128])([C:68]([H:129])([H:130])[H:131])[H:132])[H:133])[H:125])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:108]):[C:55]([H:109]):[C:56]([H:110]):[C:57]2:[C:58]([N:59]([C:60]([H:111])([H:112])[H:113])[C:61]([H:114])([H:115])[H:116]):[C:62]([H:117]):[C:63]([H:118]):[C:64]([H:119]):[C:65]:1:2)[H:120])([H:121])[H:122])[H:123])[H:124])([H:106])[H:107])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([N:20]([C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:89]):[C:29]:1[H:90])[H:91])([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])([H:100])[H:101].[H][O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E331 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[#6:32]-[#6@:34](-[#7:35]-[#6:36]-[#6@@:38](-[#7:39]-[#6:40]-[#6@:42](-[#6:43]-[#16:44]-[H])(-[#7:45])-[H:138])(-[#6:62])-[H:147])(-[#6:65])-[H:159]>>[#6:19]-[#6:20](-[#16:44]-[#6:43]-[#6@@:42](-[#6:40]-[#7:39]-[#6@:38](-[#6:36]-[#7:35]-[#6@@:34](-[#6:32])(-[#6:65])-[H:159])(-[#6:62])-[H:147])(-[#7:45])-[H:138])(-[H:90])-[H:91].[#8:21](-[#15:22])-[H]

EVODEX.1-C6 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#16:48].[#6:51]-[#8:53]>>[#16:48]-[#6:51].[H]-[#8:53]

EVODEX.1-N4 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20](-[#16:44]-[#6:43])(-[H:90])-[H:91].[H]-[#8:21]-[#15:22]

EVODEX.1-Em37 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

EVODEX.1-Cm25 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#16:48].[#8:67]-[#6:68]>>[#16:48]-[#6:68].[H]-[#8:67]

EVODEX.1-Nm41 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]

Source Full Reactions

EVODEX.1-R3399

Full Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([N:20]([C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:89]):[C:29]:1[H:90])[H:91])([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])([H:100])[H:101].[H][S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:145])([H:146])[H:147])([C:32]([H:102])([H:103])[H:104])[H:144])([H:142])[H:143])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:135])([H:136])[H:137])([C:75](=[O:76])[O:77][H:138])[H:139])[H:140])[H:141])[H:134])=[O:37])([C:66]([C:67]([H:126])([H:127])[H:128])([C:68]([H:129])([H:130])[H:131])[H:132])[H:133])[H:125])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:108]):[C:55]([H:109]):[C:56]([H:110]):[C:57]2:[C:58]([N:59]([C:60]([H:111])([H:112])[H:113])[C:61]([H:114])([H:115])[H:116]):[C:62]([H:117]):[C:63]([H:118]):[C:64]([H:119]):[C:65]:1:2)[H:120])([H:121])[H:122])[H:123])[H:124])([H:106])[H:107]>>[C:1]([C:2](=[C:3]([C:4]([S:44][C:43]([C@@:42]([C:40]([N:39]([C@:38]([C:36]([N:35]([C@@:34]([C:33]([C:31]([C:30]([H:145])([H:146])[H:147])([C:32]([H:102])([H:103])[H:104])[H:144])([H:142])[H:143])([C:69](=[O:70])[N:71]([C@@:72]([C:73]([O:74][H:135])([H:136])[H:137])([C:75](=[O:76])[O:77][H:138])[H:139])[H:140])[H:141])[H:134])=[O:37])([C:66]([C:67]([H:126])([H:127])[H:128])([C:68]([H:129])([H:130])[H:131])[H:132])[H:133])[H:125])=[O:41])([N:45]([C:46](=[O:47])[C:48]([N:49]([S:50](=[O:51])(=[O:52])[C:53]1:[C:54]([H:108]):[C:55]([H:109]):[C:56]([H:110]):[C:57]2:[C:58]([N:59]([C:60]([H:111])([H:112])[H:113])[C:61]([H:114])([H:115])[H:116]):[C:62]([H:117]):[C:63]([H:118]):[C:64]([H:119]):[C:65]:1:2)[H:120])([H:121])[H:122])[H:123])[H:124])([H:106])[H:107])([H:81])[H:82])[H:83])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:84])([H:85])[H:86])[C:19]([N:20]([C:21]1:[C:22]([H:87]):[C:23]([H:88]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:89]):[C:29]:1[H:90])[H:91])([H:92])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])([H:100])[H:101].[H][O:5][P:6](=[O:7])([O:8][H:78])[O:9][P:10](=[O:11])([O:12][H:79])[O:13][H:80]