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EVODEX.1-P2723

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:75])([H:76])[H:77])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:78])([H:79])[H:80])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:81])([H:82])[H:83])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:84])[O:20][P:21](=[O:22])([O:23][H:85])[O:24][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:101])[H:102].[H][S:47][C:46]([C@@:45]([C:43]([N:42]([C@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:144])([H:145])[H:146])([H:142])[H:143])([H:140])[H:141])([C:72](=[O:73])[O:74][H:138])[H:139])[H:137])=[O:32])([C:34]([C:35](=[O:36])[O:37][H:103])([H:104])[H:105])[H:136])[H:135])=[O:40])([C:69]([C:70]([H:127])([H:128])[H:129])([C:71]([H:130])([H:131])[H:132])[H:133])[H:134])[H:126])=[O:44])([N:48]([C:49](=[O:50])[C:51]([N:52]([S:53](=[O:54])(=[O:55])[C:56]1:[C:57]([H:109]):[C:58]([H:110]):[C:59]([H:111]):[C:60]2:[C:61]([N:62]([C:63]([H:112])([H:113])[H:114])[C:64]([H:115])([H:116])[H:117]):[C:65]([H:118]):[C:66]([H:119]):[C:67]([H:120]):[C:68]:1:2)[H:121])([H:122])[H:123])[H:124])[H:125])([H:107])[H:108]>>[C:1]([C:2]([C:3]([H:75])([H:76])[H:77])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:78])([H:79])[H:80])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:81])([H:82])[H:83])=[C:14]([C:15]([S:47][C:46]([C@@:45]([C:43]([N:42]([C@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:144])([H:145])[H:146])([H:142])[H:143])([H:140])[H:141])([C:72](=[O:73])[O:74][H:138])[H:139])[H:137])=[O:32])([C:34]([C:35](=[O:36])[O:37][H:103])([H:104])[H:105])[H:136])[H:135])=[O:40])([C:69]([C:70]([H:127])([H:128])[H:129])([C:71]([H:130])([H:131])[H:132])[H:133])[H:134])[H:126])=[O:44])([N:48]([C:49](=[O:50])[C:51]([N:52]([S:53](=[O:54])(=[O:55])[C:56]1:[C:57]([H:109]):[C:58]([H:110]):[C:59]([H:111]):[C:60]2:[C:61]([N:62]([C:63]([H:112])([H:113])[H:114])[C:64]([H:115])([H:116])[H:117]):[C:65]([H:118]):[C:66]([H:119]):[C:67]([H:120]):[C:68]:1:2)[H:121])([H:122])[H:123])[H:124])[H:125])([H:107])[H:108])([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:101])[H:102].[H][O:16][P:17](=[O:18])([O:19][H:84])[O:20][P:21](=[O:22])([O:23][H:85])[O:24][H:86]

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-R3447

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:75])([H:76])[H:77])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:78])([H:79])[H:80])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:81])([H:82])[H:83])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:84])[O:20][P:21](=[O:22])([O:23][H:85])[O:24][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:101])[H:102].[H][S:47][C:46]([C@@:45]([C:43]([N:42]([C@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:144])([H:145])[H:146])([H:142])[H:143])([H:140])[H:141])([C:72](=[O:73])[O:74][H:138])[H:139])[H:137])=[O:32])([C:34]([C:35](=[O:36])[O:37][H:103])([H:104])[H:105])[H:136])[H:135])=[O:40])([C:69]([C:70]([H:127])([H:128])[H:129])([C:71]([H:130])([H:131])[H:132])[H:133])[H:134])[H:126])=[O:44])([N:48]([C:49](=[O:50])[C:51]([N:52]([S:53](=[O:54])(=[O:55])[C:56]1:[C:57]([H:109]):[C:58]([H:110]):[C:59]([H:111]):[C:60]2:[C:61]([N:62]([C:63]([H:112])([H:113])[H:114])[C:64]([H:115])([H:116])[H:117]):[C:65]([H:118]):[C:66]([H:119]):[C:67]([H:120]):[C:68]:1:2)[H:121])([H:122])[H:123])[H:124])[H:125])([H:107])[H:108]>>[C:1]([C:2]([C:3]([H:75])([H:76])[H:77])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:78])([H:79])[H:80])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:81])([H:82])[H:83])=[C:14]([C:15]([S:47][C:46]([C@@:45]([C:43]([N:42]([C@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:144])([H:145])[H:146])([H:142])[H:143])([H:140])[H:141])([C:72](=[O:73])[O:74][H:138])[H:139])[H:137])=[O:32])([C:34]([C:35](=[O:36])[O:37][H:103])([H:104])[H:105])[H:136])[H:135])=[O:40])([C:69]([C:70]([H:127])([H:128])[H:129])([C:71]([H:130])([H:131])[H:132])[H:133])[H:134])[H:126])=[O:44])([N:48]([C:49](=[O:50])[C:51]([N:52]([S:53](=[O:54])(=[O:55])[C:56]1:[C:57]([H:109]):[C:58]([H:110]):[C:59]([H:111]):[C:60]2:[C:61]([N:62]([C:63]([H:112])([H:113])[H:114])[C:64]([H:115])([H:116])[H:117]):[C:65]([H:118]):[C:66]([H:119]):[C:67]([H:120]):[C:68]:1:2)[H:121])([H:122])[H:123])[H:124])[H:125])([H:107])[H:108])([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:101])[H:102].[H][O:16][P:17](=[O:18])([O:19][H:84])[O:20][P:21](=[O:22])([O:23][H:85])[O:24][H:86]