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EVODEX.1-P2751

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][S:38][C:37]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C@:26]([C:25]([C:24]([H:114])([H:115])[H:116])([H:112])[H:113])([C:27]([H:71])([H:72])[H:73])[H:111])([C:63](=[O:64])[N:65]([C@@:66]([C:67]([H:104])([H:105])[H:106])([C:68](=[O:69])[O:70][H:107])[H:108])[H:109])[H:110])[H:103])=[O:31])([C:60]([C:61]([H:95])([H:96])[H:97])([C:62]([H:98])([H:99])[H:100])[H:101])[H:102])[H:94])=[O:35])([N:39]([C:40](=[O:41])[C:42]([N:43]([S:44](=[O:45])(=[O:46])[C:47]1:[C:48]([H:77]):[C:49]([H:78]):[C:50]([H:79]):[C:51]2:[C:52]([N:53]([C:54]([H:80])([H:81])[H:82])[C:55]([H:83])([H:84])[H:85]):[C:56]([H:86]):[C:57]([H:87]):[C:58]([H:88]):[C:59]:1:2)[H:89])([H:90])[H:91])[H:92])[H:93])([H:75])[H:76].[C:1](#[C:2][C:3]([O:4][C:5]([C:6]([C:7]([H:117])([H:118])[H:119])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:120])([H:121])[H:122])=[C:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:123])[O:19][P:20](=[O:21])([O:22][H:124])[O:23][H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])([H:134])[H:135])([H:136])[H:137])[H:138]>>[C:1](#[C:2][C:3]([O:4][C:5]([C:6]([C:7]([H:117])([H:118])[H:119])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:120])([H:121])[H:122])=[C:13]([C:14]([S:38][C:37]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C@:26]([C:25]([C:24]([H:114])([H:115])[H:116])([H:112])[H:113])([C:27]([H:71])([H:72])[H:73])[H:111])([C:63](=[O:64])[N:65]([C@@:66]([C:67]([H:104])([H:105])[H:106])([C:68](=[O:69])[O:70][H:107])[H:108])[H:109])[H:110])[H:103])=[O:31])([C:60]([C:61]([H:95])([H:96])[H:97])([C:62]([H:98])([H:99])[H:100])[H:101])[H:102])[H:94])=[O:35])([N:39]([C:40](=[O:41])[C:42]([N:43]([S:44](=[O:45])(=[O:46])[C:47]1:[C:48]([H:77]):[C:49]([H:78]):[C:50]([H:79]):[C:51]2:[C:52]([N:53]([C:54]([H:80])([H:81])[H:82])[C:55]([H:83])([H:84])[H:85]):[C:56]([H:86]):[C:57]([H:87]):[C:58]([H:88]):[C:59]:1:2)[H:89])([H:90])[H:91])[H:92])[H:93])([H:75])[H:76])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])([H:134])[H:135])([H:136])[H:137])[H:138].[H][O:15][P:16](=[O:17])([O:18][H:123])[O:19][P:20](=[O:21])([O:22][H:124])[O:23][H:125]

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-R3473

Full Reaction Rendering

[H][S:38][C:37]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C@:26]([C:25]([C:24]([H:114])([H:115])[H:116])([H:112])[H:113])([C:27]([H:71])([H:72])[H:73])[H:111])([C:63](=[O:64])[N:65]([C@@:66]([C:67]([H:104])([H:105])[H:106])([C:68](=[O:69])[O:70][H:107])[H:108])[H:109])[H:110])[H:103])=[O:31])([C:60]([C:61]([H:95])([H:96])[H:97])([C:62]([H:98])([H:99])[H:100])[H:101])[H:102])[H:94])=[O:35])([N:39]([C:40](=[O:41])[C:42]([N:43]([S:44](=[O:45])(=[O:46])[C:47]1:[C:48]([H:77]):[C:49]([H:78]):[C:50]([H:79]):[C:51]2:[C:52]([N:53]([C:54]([H:80])([H:81])[H:82])[C:55]([H:83])([H:84])[H:85]):[C:56]([H:86]):[C:57]([H:87]):[C:58]([H:88]):[C:59]:1:2)[H:89])([H:90])[H:91])[H:92])[H:93])([H:75])[H:76].[C:1](#[C:2][C:3]([O:4][C:5]([C:6]([C:7]([H:117])([H:118])[H:119])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:120])([H:121])[H:122])=[C:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:123])[O:19][P:20](=[O:21])([O:22][H:124])[O:23][H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])([H:134])[H:135])([H:136])[H:137])[H:138]>>[C:1](#[C:2][C:3]([O:4][C:5]([C:6]([C:7]([H:117])([H:118])[H:119])=[C:8]([C:9]([C:10]([C:11]([C:12]([H:120])([H:121])[H:122])=[C:13]([C:14]([S:38][C:37]([C@@:36]([C:34]([N:33]([C@:32]([C:30]([N:29]([C@@:28]([C@:26]([C:25]([C:24]([H:114])([H:115])[H:116])([H:112])[H:113])([C:27]([H:71])([H:72])[H:73])[H:111])([C:63](=[O:64])[N:65]([C@@:66]([C:67]([H:104])([H:105])[H:106])([C:68](=[O:69])[O:70][H:107])[H:108])[H:109])[H:110])[H:103])=[O:31])([C:60]([C:61]([H:95])([H:96])[H:97])([C:62]([H:98])([H:99])[H:100])[H:101])[H:102])[H:94])=[O:35])([N:39]([C:40](=[O:41])[C:42]([N:43]([S:44](=[O:45])(=[O:46])[C:47]1:[C:48]([H:77]):[C:49]([H:78]):[C:50]([H:79]):[C:51]2:[C:52]([N:53]([C:54]([H:80])([H:81])[H:82])[C:55]([H:83])([H:84])[H:85]):[C:56]([H:86]):[C:57]([H:87]):[C:58]([H:88]):[C:59]:1:2)[H:89])([H:90])[H:91])[H:92])[H:93])([H:75])[H:76])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])([H:134])[H:135])([H:136])[H:137])[H:138].[H][O:15][P:16](=[O:17])([O:18][H:123])[O:19][P:20](=[O:21])([O:22][H:124])[O:23][H:125]