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EVODEX.1-P2742

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:73])([H:74])[H:75])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:76])([H:77])[H:78])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:79])([H:80])[H:81])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:82])[O:20][P:21](=[O:22])([O:23][H:83])[O:24][H:84])([H:85])[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])([H:99])[H:100].[H][S:45][C:44]([C@@:43]([C:41]([N:40]([C@:39]([C:37]([N:36]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:142])([H:143])[H:144])([H:140])[H:141])([H:138])[H:139])([C:70](=[O:71])[O:72][H:136])[H:137])[H:135])=[O:32])([C:34]([O:35][H:101])([H:102])[H:103])[H:134])[H:133])=[O:38])([C:67]([C:68]([H:125])([H:126])[H:127])([C:69]([H:128])([H:129])[H:130])[H:131])[H:132])[H:124])=[O:42])([N:46]([C:47](=[O:48])[C:49]([N:50]([S:51](=[O:52])(=[O:53])[C:54]1:[C:55]([H:107]):[C:56]([H:108]):[C:57]([H:109]):[C:58]2:[C:59]([N:60]([C:61]([H:110])([H:111])[H:112])[C:62]([H:113])([H:114])[H:115]):[C:63]([H:116]):[C:64]([H:117]):[C:65]([H:118]):[C:66]:1:2)[H:119])([H:120])[H:121])[H:122])[H:123])([H:105])[H:106]>>[C:1]([C:2]([C:3]([H:73])([H:74])[H:75])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:76])([H:77])[H:78])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:79])([H:80])[H:81])=[C:14]([C:15]([S:45][C:44]([C@@:43]([C:41]([N:40]([C@:39]([C:37]([N:36]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:142])([H:143])[H:144])([H:140])[H:141])([H:138])[H:139])([C:70](=[O:71])[O:72][H:136])[H:137])[H:135])=[O:32])([C:34]([O:35][H:101])([H:102])[H:103])[H:134])[H:133])=[O:38])([C:67]([C:68]([H:125])([H:126])[H:127])([C:69]([H:128])([H:129])[H:130])[H:131])[H:132])[H:124])=[O:42])([N:46]([C:47](=[O:48])[C:49]([N:50]([S:51](=[O:52])(=[O:53])[C:54]1:[C:55]([H:107]):[C:56]([H:108]):[C:57]([H:109]):[C:58]2:[C:59]([N:60]([C:61]([H:110])([H:111])[H:112])[C:62]([H:113])([H:114])[H:115]):[C:63]([H:116]):[C:64]([H:117]):[C:65]([H:118]):[C:66]:1:2)[H:119])([H:120])[H:121])[H:122])[H:123])([H:105])[H:106])([H:85])[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])([H:99])[H:100].[H][O:16][P:17](=[O:18])([O:19][H:82])[O:20][P:21](=[O:22])([O:23][H:83])[O:24][H:84]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E91 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:97])-[H:98].([#6:33]-[#6@:34](-[#7:35])(-[#6:79])-[H:173].[#6:44]-[#6@@:46](-[#7:47]-[#6:48]-[#6@:50](-[#6:51]-[#16:52]-[H])(-[#7:53])-[H:159])(-[#6:76])-[H:168])>>([#6:19]-[#6:20](-[#16:52]-[#6:51]-[#6@@:50](-[#6:48]-[#7:47]-[#6@:46](-[#6:44])(-[#6:76])-[H:168])(-[#7:53])-[H:159])(-[H:97])-[H:98].[#7:35]-[#6@@:34](-[#6:33])(-[#6:79])-[H:173]).[#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-R3465

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:73])([H:74])[H:75])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:76])([H:77])[H:78])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:79])([H:80])[H:81])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:82])[O:20][P:21](=[O:22])([O:23][H:83])[O:24][H:84])([H:85])[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])([H:99])[H:100].[H][S:45][C:44]([C@@:43]([C:41]([N:40]([C@:39]([C:37]([N:36]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:142])([H:143])[H:144])([H:140])[H:141])([H:138])[H:139])([C:70](=[O:71])[O:72][H:136])[H:137])[H:135])=[O:32])([C:34]([O:35][H:101])([H:102])[H:103])[H:134])[H:133])=[O:38])([C:67]([C:68]([H:125])([H:126])[H:127])([C:69]([H:128])([H:129])[H:130])[H:131])[H:132])[H:124])=[O:42])([N:46]([C:47](=[O:48])[C:49]([N:50]([S:51](=[O:52])(=[O:53])[C:54]1:[C:55]([H:107]):[C:56]([H:108]):[C:57]([H:109]):[C:58]2:[C:59]([N:60]([C:61]([H:110])([H:111])[H:112])[C:62]([H:113])([H:114])[H:115]):[C:63]([H:116]):[C:64]([H:117]):[C:65]([H:118]):[C:66]:1:2)[H:119])([H:120])[H:121])[H:122])[H:123])([H:105])[H:106]>>[C:1]([C:2]([C:3]([H:73])([H:74])[H:75])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:76])([H:77])[H:78])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:79])([H:80])[H:81])=[C:14]([C:15]([S:45][C:44]([C@@:43]([C:41]([N:40]([C@:39]([C:37]([N:36]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:142])([H:143])[H:144])([H:140])[H:141])([H:138])[H:139])([C:70](=[O:71])[O:72][H:136])[H:137])[H:135])=[O:32])([C:34]([O:35][H:101])([H:102])[H:103])[H:134])[H:133])=[O:38])([C:67]([C:68]([H:125])([H:126])[H:127])([C:69]([H:128])([H:129])[H:130])[H:131])[H:132])[H:124])=[O:42])([N:46]([C:47](=[O:48])[C:49]([N:50]([S:51](=[O:52])(=[O:53])[C:54]1:[C:55]([H:107]):[C:56]([H:108]):[C:57]([H:109]):[C:58]2:[C:59]([N:60]([C:61]([H:110])([H:111])[H:112])[C:62]([H:113])([H:114])[H:115]):[C:63]([H:116]):[C:64]([H:117]):[C:65]([H:118]):[C:66]:1:2)[H:119])([H:120])[H:121])[H:122])[H:123])([H:105])[H:106])([H:85])[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])([H:99])[H:100].[H][O:16][P:17](=[O:18])([O:19][H:82])[O:20][P:21](=[O:22])([O:23][H:83])[O:24][H:84]