EVODEX Logo

EVODEX.1-P79

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:49]=[C:50]([C:51]([C:52]([C:53]([O:54][H:105])([H:106])[H:107])([H:108])[H:109])([C:55]1:[C:56]([O:57][H:110]):[C:58]([H:111]):[C:59]2:[C:60](:[C:61]:1[O:62][H:112])[C:63](=[O:64])[C:65]1:[C:66]([O:67][H:113]):[C:68]([H:114]):[C:69]([O:70][H:115]):[C:71]([H:116]):[C:72]:1[C:73]2=[O:74])[H:117])[H:118]>>[H][O:49][C:50]([H])([C@:51]([C:52]([C:53]([O:54][H:105])([H:106])[H:107])([H:108])[H:109])([C:55]1:[C:56]([O:57][H:110]):[C:58]([H:111]):[C:59]2:[C:60](:[C:61]:1[O:62][H:112])[C:63](=[O:64])[C:65]1:[C:66]([O:67][H:113]):[C:68]([H:114]):[C:69]([O:70][H:115]):[C:71]([H:116]):[C:72]:1[C:73]2=[O:74])[H:117])[H:118]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E23 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[#8:49](-[#6:50](-[#6@:51](-[#6:52])(-[#6:55])-[H:117])(-[H:118])-[H])-[H]

EVODEX.1-C183 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]-[#6:51]>>[H]-[#8:49]-[#6:50](-[H])-[#6@:51]

EVODEX.1-N104 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[H]-[#8:49]-[#6:50](-[H])(-[#6@:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]

EVODEX.1-Em78 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R108

Full Reaction Rendering

[HH].[H][C:48]1([H:101])[C:4]([C:2]([N:1]([H:103])[H:104])=[O:3])=[C:5]([H:75])[N:6]([C@:7]2([H:76])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:77])[O:15][P:16](=[O:17])([O:18][H:78])[O:19][C:20]([C@@:21]3([H:79])[O:22][C@:23]([N:24]4:[C:25]([H:80]):[N:26]:[C:27]5:[C:28]([N:29]([H:81])[H:82]):[N:30]:[C:31]([H:83]):[N:32]:[C:33]:4:5)([H:84])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:85])[O:39][H:86])([H:87])[C@@:40]3([O:41][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:42]([O:43][H:95])([H:96])[C@:44]2([O:45][H:97])[H:98])[C:46]([H:99])=[C:47]1[H:100].[O:49]=[C:50]([C:51]([C:52]([C:53]([O:54][H:105])([H:106])[H:107])([H:108])[H:109])([C:55]1:[C:56]([O:57][H:110]):[C:58]([H:111]):[C:59]2:[C:60](:[C:61]:1[O:62][H:112])[C:63](=[O:64])[C:65]1:[C:66]([O:67][H:113]):[C:68]([H:114]):[C:69]([O:70][H:115]):[C:71]([H:116]):[C:72]:1[C:73]2=[O:74])[H:117])[H:118]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:75]):[N+:6]([C@:7]2([H:76])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:77])[O:15][P:16](=[O:17])([O:18][H:78])[O:19][C:20]([C@@:21]3([H:79])[O:22][C@:23]([N:24]4:[C:25]([H:80]):[N:26]:[C:27]5:[C:28]([N:29]([H:81])[H:82]):[N:30]:[C:31]([H:83]):[N:32]:[C:33]:4:5)([H:84])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:85])[O:39][H:86])([H:87])[C@@:40]3([O:41][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:42]([O:43][H:95])([H:96])[C@:44]2([O:45][H:97])[H:98]):[C:46]([H:99]):[C:47]([H:100]):[C:48]:1[H:101])([H:103])[H:104].[H][O:49][C:50]([H])([C@:51]([C:52]([C:53]([O:54][H:105])([H:106])[H:107])([H:108])[H:109])([C:55]1:[C:56]([O:57][H:110]):[C:58]([H:111]):[C:59]2:[C:60](:[C:61]:1[O:62][H:112])[C:63](=[O:64])[C:65]1:[C:66]([O:67][H:113]):[C:68]([H:114]):[C:69]([O:70][H:115]):[C:71]([H:116]):[C:72]:1[C:73]2=[O:74])[H:117])[H:118]