SMIRKS
[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:67][P:68](=[O:69])([O:70][H:122])[O:71][P:72](=[O:73])([O:74][H:123])[O:75][H:124].[H]O[C:81](=[O:80])[C:83]([C:84]([C:85](=[O:86])[O:87][H:135])([H:136])[H:137])([H:138])[H:139]>>[H][C:81](=[O:80])[C:83]([C:84]([C:85](=[O:86])[O:87][H:135])([H:136])[H:137])([H:138])[H:139].[H][O:67][P:68](=[O:69])([O:70][H:122])[O:71][P:72](=[O:73])([O:74][H:123])[O:75][H:124]
Derived Operators
EVODEX.1-F217 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -12 |
EVODEX.1-M132 - Mass Difference
-345.0475599999999
EVODEX.1-E926 - Reaction Operator E
[#6:53]-[#6:54](=[#8:55])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:78]-[#15:79])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:53]-[#6:54](=[#8:55])-[H].[#8:78](-[#15:79])-[H]
EVODEX.1-C230 - Reaction Operator C
[H]-[#8]-[#6:10].[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])-[#8:79]>>[H]-[#6:10].[H]-[#8:79]
EVODEX.1-N214 - Reaction Operator N
[H]-[#8]-[#6:10](-[#6:9])=[#8:11].[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])-[#8:79]-[#15:80]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:79]-[#15:80]
EVODEX.1-Em307 - Reaction Operator Em
[H]-[#8]-[#6:10](-[#6:9])=[#8:11].[#8]-[#15](=[#8])(-[#8])-[#8:79]-[#15:80]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:79]-[#15:80]
EVODEX.1-Nm300 - Reaction Operator Nm
[H]-[#8]-[#6:10](-[#6:9])=[#8:11].[#8]-[#15](=[#8])(-[#8])-[#8:79]-[#15:80]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:79]-[#15:80]
Source Full Reactions
EVODEX.1-R687
[HH].[H][C:48]1([H:114])[C:4]([C:2]([N:1]([H:116])[H:117])=[O:3])=[C:5]([H:88])[N:6]([C@:7]2([H:89])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:90])[O:15][P:16](=[O:17])([O:18][H:91])[O:19][C:20]([C@@:21]3([H:92])[O:22][C@:23]([N:24]4:[C:25]([H:93]):[N:26]:[C:27]5:[C:28]([N:29]([H:94])[H:95]):[N:30]:[C:31]([H:96]):[N:32]:[C:33]:4:5)([H:97])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:98])[O:39][H:99])([H:100])[C@@:40]3([O:41][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[C@:42]([O:43][H:108])([H:109])[C@:44]2([O:45][H:110])[H:111])[C:46]([H:112])=[C:47]1[H:113].[N:49]([C:50]1:[N:51]:[C:52]([H:118]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:119]):[N:58]:2[C@:59]1([H:120])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:121])[O:67][P:68](=[O:69])([O:70][H:122])[O:71][P:72](=[O:73])([O:74][H:123])[O:75][H:124])([H:125])[H:126])([H:127])[C@:76]([O:77][H:128])([H:129])[C@:78]1([O:79][H:130])[H:131])([H:132])[H:133].[O:80]=[C:81]([O:82][H:134])[C:83]([C:84]([C:85](=[O:86])[O:87][H:135])([H:136])[H:137])([H:138])[H:139]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:88]):[N+:6]([C@:7]2([H:89])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:90])[O:15][P:16](=[O:17])([O:18][H:91])[O:19][C:20]([C@@:21]3([H:92])[O:22][C@:23]([N:24]4:[C:25]([H:93]):[N:26]:[C:27]5:[C:28]([N:29]([H:94])[H:95]):[N:30]:[C:31]([H:96]):[N:32]:[C:33]:4:5)([H:97])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:98])[O:39][H:99])([H:100])[C@@:40]3([O:41][H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[C@:42]([O:43][H:108])([H:109])[C@:44]2([O:45][H:110])[H:111]):[C:46]([H:112]):[C:47]([H:113]):[C:48]:1[H:114])([H:116])[H:117].[N:49]([C:50]1:[N:51]:[C:52]([H:118]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:119]):[N:58]:2[C@:59]1([H:120])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:121])[O:82][H:134])([H:125])[H:126])([H:127])[C@:76]([O:77][H:128])([H:129])[C@:78]1([O:79][H:130])[H:131])([H:132])[H:133].[H][C:81](=[O:80])[C:83]([C:84]([C:85](=[O:86])[O:87][H:135])([H:136])[H:137])([H:138])[H:139].[H][O:67][P:68](=[O:69])([O:70][H:122])[O:71][P:72](=[O:73])([O:74][H:123])[O:75][H:124]