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EVODEX.1-P2718

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:69])([H:70])[H:71])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:72])([H:73])[H:74])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:75])([H:76])[H:77])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:78])[O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])([H:81])[H:82])[H:83])([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][S:34][C:33]([C@@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:134])([H:135])[H:136])([C:27]([H:97])([H:98])[H:99])[H:133])([C:56](=[O:57])[N:58]([C@@:59]([C:60]([H:121])([H:122])[H:123])([C:61](=[O:62])[N:63]([C@@:64]([C:65]([H:124])([H:125])[H:126])([C:66](=[O:67])[O:68][H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[H:120])=[O:31])([N:35]([C:36](=[O:37])[C:38]([N:39]([S:40](=[O:41])(=[O:42])[C:43]1:[C:44]([H:103]):[C:45]([H:104]):[C:46]([H:105]):[C:47]2:[C:48]([N:49]([C:50]([H:106])([H:107])[H:108])[C:51]([H:109])([H:110])[H:111]):[C:52]([H:112]):[C:53]([H:113]):[C:54]([H:114]):[C:55]:1:2)[H:115])([H:116])[H:117])[H:118])[H:119])([H:101])[H:102]>>[C:1]([C:2]([C:3]([H:69])([H:70])[H:71])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:72])([H:73])[H:74])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:75])([H:76])[H:77])=[C:14]([C:15]([S:34][C:33]([C@@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:134])([H:135])[H:136])([C:27]([H:97])([H:98])[H:99])[H:133])([C:56](=[O:57])[N:58]([C@@:59]([C:60]([H:121])([H:122])[H:123])([C:61](=[O:62])[N:63]([C@@:64]([C:65]([H:124])([H:125])[H:126])([C:66](=[O:67])[O:68][H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[H:120])=[O:31])([N:35]([C:36](=[O:37])[C:38]([N:39]([S:40](=[O:41])(=[O:42])[C:43]1:[C:44]([H:103]):[C:45]([H:104]):[C:46]([H:105]):[C:47]2:[C:48]([N:49]([C:50]([H:106])([H:107])[H:108])[C:51]([H:109])([H:110])[H:111]):[C:52]([H:112]):[C:53]([H:113]):[C:54]([H:114]):[C:55]:1:2)[H:115])([H:116])[H:117])[H:118])[H:119])([H:101])[H:102])([H:81])[H:82])[H:83])([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][O:16][P:17](=[O:18])([O:19][H:78])[O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E323 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:88])-[H:89].[#7:35](-[#6@@:34](-[#6@:32])(-[#6:54])-[H:152])-[#6:36]-[#6@:38](-[#6:39]-[#16:40]-[H])(-[#7:41])-[H:127]>>[#6:19]-[#6:20](-[#16:40]-[#6:39]-[#6@@:38](-[#6:36]-[#7:35]-[#6@@:34](-[#6@:32])(-[#6:54])-[H:152])(-[#7:41])-[H:127])(-[H:88])-[H:89].[#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-R3443

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:69])([H:70])[H:71])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:72])([H:73])[H:74])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:75])([H:76])[H:77])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:78])[O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80])([H:81])[H:82])[H:83])([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][S:34][C:33]([C@@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:134])([H:135])[H:136])([C:27]([H:97])([H:98])[H:99])[H:133])([C:56](=[O:57])[N:58]([C@@:59]([C:60]([H:121])([H:122])[H:123])([C:61](=[O:62])[N:63]([C@@:64]([C:65]([H:124])([H:125])[H:126])([C:66](=[O:67])[O:68][H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[H:120])=[O:31])([N:35]([C:36](=[O:37])[C:38]([N:39]([S:40](=[O:41])(=[O:42])[C:43]1:[C:44]([H:103]):[C:45]([H:104]):[C:46]([H:105]):[C:47]2:[C:48]([N:49]([C:50]([H:106])([H:107])[H:108])[C:51]([H:109])([H:110])[H:111]):[C:52]([H:112]):[C:53]([H:113]):[C:54]([H:114]):[C:55]:1:2)[H:115])([H:116])[H:117])[H:118])[H:119])([H:101])[H:102]>>[C:1]([C:2]([C:3]([H:69])([H:70])[H:71])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:72])([H:73])[H:74])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:75])([H:76])[H:77])=[C:14]([C:15]([S:34][C:33]([C@@:32]([C:30]([N:29]([C@@:28]([C:26]([C:25]([H:134])([H:135])[H:136])([C:27]([H:97])([H:98])[H:99])[H:133])([C:56](=[O:57])[N:58]([C@@:59]([C:60]([H:121])([H:122])[H:123])([C:61](=[O:62])[N:63]([C@@:64]([C:65]([H:124])([H:125])[H:126])([C:66](=[O:67])[O:68][H:127])[H:128])[H:129])[H:130])[H:131])[H:132])[H:120])=[O:31])([N:35]([C:36](=[O:37])[C:38]([N:39]([S:40](=[O:41])(=[O:42])[C:43]1:[C:44]([H:103]):[C:45]([H:104]):[C:46]([H:105]):[C:47]2:[C:48]([N:49]([C:50]([H:106])([H:107])[H:108])[C:51]([H:109])([H:110])[H:111]):[C:52]([H:112]):[C:53]([H:113]):[C:54]([H:114]):[C:55]:1:2)[H:115])([H:116])[H:117])[H:118])[H:119])([H:101])[H:102])([H:81])[H:82])[H:83])([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][O:16][P:17](=[O:18])([O:19][H:78])[O:20][P:21](=[O:22])([O:23][H:79])[O:24][H:80]