SMIRKS
[H][N:48]([C:47]([C:46]([C:45]([H:120])([H:121])[H:122])([H:118])[H:119])([C:49](=[O:50])[O:51][H:116])[H:117])[H:114]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3:C([H]):C([H]):C(=O):N([H]):C:3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@@]([H])(C(=O)[N:48]([C@@:47]([C:46]([C:45]([H:120])([H:121])[H:122])([H:118])[H:119])([C:49](=[O:50])[O:51][H:116])[H:117])[H:114])C([H])([H])[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F576 - Elemental Balance
| P | 2 |
| O | 18 |
| C | 20 |
| N | 3 |
| H | 29 |
EVODEX.1-M174 - Mass Difference
661.09217
EVODEX.1-E1400 - Reaction Operator E
[#6:45]-[#6:46](-[#7:47](-[H:118])-[H])(-[#6:48])-[H:130]>>[#6](-[#6](=[#8])-[#7](-[#6@@]1(-[H])-[#6@](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]2(-[H])-[#8]-[#6@](-[#7]3:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:3=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-2(-[#8]-[H])-[H])(-[H])-[H])(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#6@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#7:47](-[#6@@:46](-[#6:45])(-[#6:48])-[H:130])-[H:118])-[H])-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C1035 - Reaction Operator C
[H]-[#7:47]-[#6:46]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#7]3:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:3=[#8])-[#6@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#7:47]-[#6@@:46])-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1289 - Reaction Operator N
[H]-[#7:47](-[#6:46](-[#6:45])(-[#6:48])-[H:130])-[H:118]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#7]3:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:3=[#8])-[#6@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#7:47](-[#6@@:46](-[#6:45])(-[#6:48])-[H:130])-[H:118])-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R7897
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:83])[C@:6]([O:7][P:8](=[O:9])([O:10][H:84])[O:11][P:12](=[O:13])([O:14][H:85])[O:15][C:16]([C@@:17]2([H:86])[O:18][C@:19]([N:20]3:[C:21]([H:87]):[C:22]([H:88]):[C:23](=[O:24]):[N:25]([H:89]):[C:26]:3=[O:27])([H:90])[C@@:28]([O:29][H:91])([H:92])[C@@:30]2([O:31][H:93])[H:94])([H:95])[H:96])([H:97])[O:32][C@@:33]([C:34]([O:35][H:98])([H:99])[H:100])([H:101])[C@:36]([O:37][H:102])([H:103])[C@@:38]1([O:39][C@:40]([C:41]([H:104])([H:105])[H:106])([C:42](=[O:43])[O:44][H:107])[H:108])[H:109])[H:110])([H:111])([H:112])[H:113].[H][N:48]([C:47]([C:46]([C:45]([H:120])([H:121])[H:122])([H:118])[H:119])([C:49](=[O:50])[O:51][H:116])[H:117])[H:114].[N:52]([C:53]1:[N:54]:[C:55]([H:123]):[N:56]:[C:57]2:[C:58]:1:[N:59]:[C:60]([H:124]):[N:61]:2[C@:62]1([H:125])[O:63][C@@:64]([C:65]([O:66][P:67](=[O:68])([O:69][H:126])[O:70][P:71](=[O:72])([O:73][H:127])[O:74][P:75](=[O:76])([O:77][H:128])[O:78][H:129])([H:130])[H:131])([H:132])[C@:79]([O:80][H:133])([H:134])[C@:81]1([O:82][H:135])[H:136])([H:137])[H:138]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:83])[C@:6]([O:7][P:8](=[O:9])([O:10][H:84])[O:11][P:12](=[O:13])([O:14][H:85])[O:15][C:16]([C@@:17]2([H:86])[O:18][C@:19]([N:20]3:[C:21]([H:87]):[C:22]([H:88]):[C:23](=[O:24]):[N:25]([H:89]):[C:26]:3=[O:27])([H:90])[C@@:28]([O:29][H:91])([H:92])[C@@:30]2([O:31][H:93])[H:94])([H:95])[H:96])([H:97])[O:32][C@@:33]([C:34]([O:35][H:98])([H:99])[H:100])([H:101])[C@:36]([O:37][H:102])([H:103])[C@@:38]1([O:39][C@:40]([C:41]([H:104])([H:105])[H:106])([C:42](=[O:43])[N:48]([C@@:47]([C:46]([C:45]([H:120])([H:121])[H:122])([H:118])[H:119])([C:49](=[O:50])[O:51][H:116])[H:117])[H:114])[H:108])[H:109])[H:110])([H:111])([H:112])[H:113].[O:44]([P:71]([O:70][P:67]([O:66][C:65]([C@@:64]1([H:132])[O:63][C@:62]([N:61]2:[C:57]3:[N:56]:[C:55]([H:123]):[N:54]:[C:53]([N:52]([H:137])[H:138]):[C:58]:3:[N:59]:[C:60]:2[H:124])([H:125])[C@@:81]([O:82][H:135])([H:136])[C@@:79]1([O:80][H:133])[H:134])([H:130])[H:131])(=[O:68])[O:69][H:126])(=[O:72])[O:73][H:127])[H:107].[H][O:74][P:75](=[O:76])([O:77][H:128])[O:78][H:129]