SMIRKS
[O:80]=[C:81]([O:82][H:136])[C:83]([C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:82][H:136].[H][C:81](=[O:80])[C:83]([C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145]
Derived Operators
EVODEX.1-F215 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 14 |
EVODEX.1-M285 - Mass Difference
331.06832
EVODEX.1-E922 - Reaction Operator E
[#6:53]-[#6:54](=[#8:55])-[#8:56]-[H:121]>>[#6:53]-[#6:54](=[#8:55])-[H].[#8:56](-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])-[H:121]
EVODEX.1-C233 - Reaction Operator C
[#6:81]-[#8:82]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:82].[H]-[#6:81]
EVODEX.1-N217 - Reaction Operator N
[#8:80]=[#6:81](-[#8:82]-[H:136])-[#6:83]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:82]-[H:136].[H]-[#6:81](=[#8:80])-[#6:83]
EVODEX.1-Em308 - Reaction Operator Em
[#8:80]=[#6:81](-[#8:82])-[#6:83]>>[#8]-[#15](=[#8])(-[#8])-[#8:82].[H]-[#6:81](=[#8:80])-[#6:83]
EVODEX.1-Nm301 - Reaction Operator Nm
[#8:80]=[#6:81](-[#8:82])-[#6:83]>>[#8]-[#15](=[#8])(-[#8])-[#8:82].[H]-[#6:81](=[#8:80])-[#6:83]
Source Full Reactions
EVODEX.1-R723
[HH].[H][C:48]1([H:116])[C:4]([C:2]([N:1]([H:118])[H:119])=[O:3])=[C:5]([H:90])[N:6]([C@:7]2([H:91])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:92])[O:15][P:16](=[O:17])([O:18][H:93])[O:19][C:20]([C@@:21]3([H:94])[O:22][C@:23]([N:24]4:[C:25]([H:95]):[N:26]:[C:27]5:[C:28]([N:29]([H:96])[H:97]):[N:30]:[C:31]([H:98]):[N:32]:[C:33]:4:5)([H:99])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:100])[O:39][H:101])([H:102])[C@@:40]3([O:41][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[C@:42]([O:43][H:110])([H:111])[C@:44]2([O:45][H:112])[H:113])[C:46]([H:114])=[C:47]1[H:115].[N:49]([C:50]1:[N:51]:[C:52]([H:120]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:121]):[N:58]:2[C@:59]1([H:122])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:123])[O:67][P:68](=[O:69])([O:70][H:124])[O:71][P:72](=[O:73])([O:74][H:125])[O:75][H:126])([H:127])[H:128])([H:129])[C@:76]([O:77][H:130])([H:131])[C@:78]1([O:79][H:132])[H:133])([H:134])[H:135].[O:80]=[C:81]([O:82][H:136])[C:83]([C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:90]):[N+:6]([C@:7]2([H:91])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:92])[O:15][P:16](=[O:17])([O:18][H:93])[O:19][C:20]([C@@:21]3([H:94])[O:22][C@:23]([N:24]4:[C:25]([H:95]):[N:26]:[C:27]5:[C:28]([N:29]([H:96])[H:97]):[N:30]:[C:31]([H:98]):[N:32]:[C:33]:4:5)([H:99])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:100])[O:39][H:101])([H:102])[C@@:40]3([O:41][H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[C@:42]([O:43][H:110])([H:111])[C@:44]2([O:45][H:112])[H:113]):[C:46]([H:114]):[C:47]([H:115]):[C:48]:1[H:116])([H:118])[H:119].[N:49]([C:50]1:[N:51]:[C:52]([H:120]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:121]):[N:58]:2[C@:59]1([H:122])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:123])[O:82][H:136])([H:127])[H:128])([H:129])[C@:76]([O:77][H:130])([H:131])[C@:78]1([O:79][H:132])[H:133])([H:134])[H:135].[H][C:81](=[O:80])[C:83]([C:84]([C:85]([C:86]([C:87](=[O:88])[O:89][H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])[H:145].[H][O:67][P:68](=[O:69])([O:70][H:124])[O:71][P:72](=[O:73])([O:74][H:125])[O:75][H:126]