SMIRKS
[H][O:23][C:22]([C@@:21]([C:20]([O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:100])([H:101])[H:102])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([O:24][C:25]([C:26]([H:62])([H:63])[H:64])=[O:27])[H:65])([H:60])[H:61]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])OP(=O)(O[H])[O:23][C:22]([C@@:21]([C:20]([O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:100])([H:101])[H:102])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([O:24][C:25]([C:26]([H:62])([H:63])[H:64])=[O:27])[H:65])([H:60])[H:61])O[C@]1([H])N1:C([H]):C([H]):C(N([H])[H]):N:C:1=O
Derived Operators
EVODEX.1-F459 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 9 |
| N | 3 |
| H | 12 |
EVODEX.1-M163 - Mass Difference
305.04136
EVODEX.1-E1270 - Reaction Operator E
[#6:32]-[#8:33]-[H]>>[#6:32]-[#8:33]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C129 - Reaction Operator C
[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]
EVODEX.1-N587 - Reaction Operator N
[H]-[#8:13]-[#6:12]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]-[#6:12]
Source Full Reactions
EVODEX.1-R4531
[H][O:23][C:22]([C@@:21]([C:20]([O:19][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:100])([H:101])[H:102])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])[H:85])[H:84])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([O:24][C:25]([C:26]([H:62])([H:63])[H:64])=[O:27])[H:65])([H:60])[H:61].[C:28]([N+:29]([C:30]([H:103])([H:104])[H:105])([C:31]([H:106])([H:107])[H:108])[C:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:109])[O:38][P:39](=[O:40])([O:41][H:110])[O:42][C:43]([C@:44]1([H:111])[O:45][C@@:46]([N:47]2:[C:48]([H:112]):[C:49]([H:113]):[C:50]([N:51]([H:114])[H:115]):[N:52]:[C:53]:2=[O:54])([H:116])[C@:55]([O:56][H:117])([H:118])[C@:57]1([O:58][H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])([H:128])[H:129]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([O:19][C:20]([C@:21]([C:22]([O:23][P:39](=[O:40])([O:41][H:110])[O:42][C:43]([C@:44]1([H:111])[O:45][C@@:46]([N:47]2:[C:48]([H:112]):[C:49]([H:113]):[C:50]([N:51]([H:114])[H:115]):[N:52]:[C:53]:2=[O:54])([H:116])[C@:55]([O:56][H:117])([H:118])[C@:57]1([O:58][H:119])[H:120])([H:121])[H:122])([H:60])[H:61])([O:24][C:25]([C:26]([H:62])([H:63])[H:64])=[O:27])[H:65])([H:66])[H:67])([H:68])[H:69])([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:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])([H:101])[H:102].[H][O:38][P:35]([O:34][C:33]([C:32]([N+:29]([C:28]([H:127])([H:128])[H:129])([C:30]([H:103])([H:104])[H:105])[C:31]([H:106])([H:107])[H:108])([H:125])[H:126])([H:123])[H:124])(=[O:36])[O:37][H:109]