EVODEX.1-P2703

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:62])([H:63])[H:64])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:65])([H:66])[H:67])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:68])[O:20][P:21](=[O:22])([O:23][H:69])[O:24][H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86].[H][S:44][C:43]([C@@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:117])([H:118])[H:119])([C:27]([H:87])([H:88])[H:89])[H:116])([H:114])[H:115])([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:103]):[C:52]([H:104]):[C:53]([H:105]):[C:54]([H:106]):[C:55]:1[H:107])([H:108])[H:109])([C:56](=[O:57])[O:58][H:110])[H:111])[H:112])[H:113])[H:102])=[O:32])([C:34]([C:35]([N:36]([H:90])[H:91])=[O:37])([H:92])[H:93])[H:101])[H:100])=[O:40])([N:42]([H:94])[H:95])[H:99])([H:97])[H:98]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:62])([H:63])[H:64])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:65])([H:66])[H:67])=[C:14]([C:15]([S:44][C:43]([C@@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:117])([H:118])[H:119])([C:27]([H:87])([H:88])[H:89])[H:116])([H:114])[H:115])([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:103]):[C:52]([H:104]):[C:53]([H:105]):[C:54]([H:106]):[C:55]:1[H:107])([H:108])[H:109])([C:56](=[O:57])[O:58][H:110])[H:111])[H:112])[H:113])[H:102])=[O:32])([C:34]([C:35]([N:36]([H:90])[H:91])=[O:37])([H:92])[H:93])[H:101])[H:100])=[O:40])([N:42]([H:94])[H:95])[H:99])([H:97])[H:98])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86].[H][O:16][P:17](=[O:18])([O:19][H:68])[O:20][P:21](=[O:22])([O:23][H:69])[O:24][H:70]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E87 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:94])-[H:95].([#6:31]-[#6@:33](-[#7:34])(-[#6:76])-[H:156].[#6:74]-[#16:75]-[H])>>([#6:19]-[#6:20](-[#16:75]-[#6:74])(-[H:94])-[H:95].[#7:34]-[#6@@:33](-[#6:31])(-[#6:76])-[H:156]).[#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-R3429

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:62])([H:63])[H:64])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:65])([H:66])[H:67])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:68])[O:20][P:21](=[O:22])([O:23][H:69])[O:24][H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86].[H][S:44][C:43]([C@@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:117])([H:118])[H:119])([C:27]([H:87])([H:88])[H:89])[H:116])([H:114])[H:115])([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:103]):[C:52]([H:104]):[C:53]([H:105]):[C:54]([H:106]):[C:55]:1[H:107])([H:108])[H:109])([C:56](=[O:57])[O:58][H:110])[H:111])[H:112])[H:113])[H:102])=[O:32])([C:34]([C:35]([N:36]([H:90])[H:91])=[O:37])([H:92])[H:93])[H:101])[H:100])=[O:40])([N:42]([H:94])[H:95])[H:99])([H:97])[H:98]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:62])([H:63])[H:64])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:65])([H:66])[H:67])=[C:14]([C:15]([S:44][C:43]([C@@:41]([C:39]([N:38]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:26]([C:25]([H:117])([H:118])[H:119])([C:27]([H:87])([H:88])[H:89])[H:116])([H:114])[H:115])([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:103]):[C:52]([H:104]):[C:53]([H:105]):[C:54]([H:106]):[C:55]:1[H:107])([H:108])[H:109])([C:56](=[O:57])[O:58][H:110])[H:111])[H:112])[H:113])[H:102])=[O:32])([C:34]([C:35]([N:36]([H:90])[H:91])=[O:37])([H:92])[H:93])[H:101])[H:100])=[O:40])([N:42]([H:94])[H:95])[H:99])([H:97])[H:98])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])([H:85])[H:86].[H][O:16][P:17](=[O:18])([O:19][H:68])[O:20][P:21](=[O:22])([O:23][H:69])[O:24][H:70]