SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:8]([O:7][C@:6]1([H:94])[C@@:5]([N:4]([C:2]([C:1]([H:104])([H:105])[H:106])=[O:3])[H:103])([H:80])[C@:38]([O:39][H:101])([H:102])[C@@:36]([O:37][H:99])([H:100])[C@:33]([C:34]([O:35][H:95])([H:96])[H:97])([H:98])[O:32]1)(=[O:9])[O:10][H:81].[H][O:78][P:76]([O:75][C:74]([C:73](=[C:71]([C:70]([C:69]([C:68](=[C:66]([C:65]([C:64]([C:63](=[C:61]([C:60]([C:59]([C:58](=[C:56]([C:55]([C:54]([C:53](=[C:51]([C:50]([C:49]([C:48](=[C:46]([C:45]([C:44]([C:43](=[C:41]([C:40]([H:163])([H:164])[H:165])[C:42]([H:107])([H:108])[H:109])[H:162])([H:160])[H:161])([H:158])[H:159])[C:47]([H:110])([H:111])[H:112])[H:157])([H:155])[H:156])([H:153])[H:154])[C:52]([H:113])([H:114])[H:115])[H:152])([H:150])[H:151])([H:148])[H:149])[C:57]([H:116])([H:117])[H:118])[H:147])([H:145])[H:146])([H:143])[H:144])[C:62]([H:119])([H:120])[H:121])[H:142])([H:140])[H:141])([H:138])[H:139])[C:67]([H:122])([H:123])[H:124])[H:137])([H:135])[H:136])([H:133])[H:134])[C:72]([H:125])([H:126])[H:127])[H:132])([H:130])[H:131])(=[O:77])[O:79][H:129]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:80])[C@:6]([O:7][P:8](=[O:9])([O:10][H:81])[O:78][P:76]([O:75][C:74]([C:73](=[C:71]([C:70]([C:69]([C:68](=[C:66]([C:65]([C:64]([C:63](=[C:61]([C:60]([C:59]([C:58](=[C:56]([C:55]([C:54]([C:53](=[C:51]([C:50]([C:49]([C:48](=[C:46]([C:45]([C:44]([C:43](=[C:41]([C:40]([H:163])([H:164])[H:165])[C:42]([H:107])([H:108])[H:109])[H:162])([H:160])[H:161])([H:158])[H:159])[C:47]([H:110])([H:111])[H:112])[H:157])([H:155])[H:156])([H:153])[H:154])[C:52]([H:113])([H:114])[H:115])[H:152])([H:150])[H:151])([H:148])[H:149])[C:57]([H:116])([H:117])[H:118])[H:147])([H:145])[H:146])([H:143])[H:144])[C:62]([H:119])([H:120])[H:121])[H:142])([H:140])[H:141])([H:138])[H:139])[C:67]([H:122])([H:123])[H:124])[H:137])([H:135])[H:136])([H:133])[H:134])[C:72]([H:125])([H:126])[H:127])[H:132])([H:130])[H:131])(=[O:77])[O:79][H:129])([H:94])[O:32][C@@:33]([C:34]([O:35][H:95])([H:96])[H:97])([H:98])[C@:36]([O:37][H:99])([H:100])[C@@:38]1([O:39][H:101])[H:102])[H:103])([H:104])([H:105])[H:106]
Derived Operators
EVODEX.1-F293 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -9 |
| N | -2 |
| H | -13 |
EVODEX.1-M144 - Mass Difference
-324.03589
EVODEX.1-E1058 - Reaction Operator E
[#15:17]-[#8:19]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:35](=[#8:36])(-[#8:37])-[#8:38])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#15:17]-[#8:19]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]
EVODEX.1-C891 - Reaction Operator C
([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:8].[#6@:38]-[#6@@:36]-[#6@:33]).[H]-[#8:83]>>([#15:8]-[#8:83].[#6@@:33]-[#6@:36]-[#6@@:38])
EVODEX.1-N1113 - Reaction Operator N
([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[#8:39]-[#6@@:38](-[#6@@:5])(-[H:107])-[#6@@:36](-[#8:37])(-[H:105])-[#6@:33](-[#6:34])(-[H:103])-[#8:32]).[H]-[#8:83]-[#15:81]>>([#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:83]-[#15:81].[#8:32]-[#6@@:33](-[#6:34])(-[H:103])-[#6@:36](-[#8:37])(-[H:105])-[#6@@:38](-[#6@@:5])(-[#8:39])-[H:107])
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4535
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:80])[C@:6]([O:7][P:8](=[O:9])([O:10][H:81])[O:11][P:12](=[O:13])([O:14][H:82])[O:15][C:16]([C@@:17]2([H:83])[O:18][C@:19]([N:20]3:[C:21]([H:84]):[C:22]([H:85]):[C:23](=[O:24]):[N:25]([H:86]):[C:26]:3=[O:27])([H:87])[C@@:28]([O:29][H:88])([H:89])[C@@:30]2([O:31][H:90])[H:91])([H:92])[H:93])([H:94])[O:32][C@@:33]([C:34]([O:35][H:95])([H:96])[H:97])([H:98])[C@:36]([O:37][H:99])([H:100])[C@@:38]1([O:39][H:101])[H:102])[H:103])([H:104])([H:105])[H:106].[H][O:78][P:76]([O:75][C:74]([C:73](=[C:71]([C:70]([C:69]([C:68](=[C:66]([C:65]([C:64]([C:63](=[C:61]([C:60]([C:59]([C:58](=[C:56]([C:55]([C:54]([C:53](=[C:51]([C:50]([C:49]([C:48](=[C:46]([C:45]([C:44]([C:43](=[C:41]([C:40]([H:163])([H:164])[H:165])[C:42]([H:107])([H:108])[H:109])[H:162])([H:160])[H:161])([H:158])[H:159])[C:47]([H:110])([H:111])[H:112])[H:157])([H:155])[H:156])([H:153])[H:154])[C:52]([H:113])([H:114])[H:115])[H:152])([H:150])[H:151])([H:148])[H:149])[C:57]([H:116])([H:117])[H:118])[H:147])([H:145])[H:146])([H:143])[H:144])[C:62]([H:119])([H:120])[H:121])[H:142])([H:140])[H:141])([H:138])[H:139])[C:67]([H:122])([H:123])[H:124])[H:137])([H:135])[H:136])([H:133])[H:134])[C:72]([H:125])([H:126])[H:127])[H:132])([H:130])[H:131])(=[O:77])[O:79][H:129]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:80])[C@:6]([O:7][P:8](=[O:9])([O:10][H:81])[O:78][P:76]([O:75][C:74]([C:73](=[C:71]([C:70]([C:69]([C:68](=[C:66]([C:65]([C:64]([C:63](=[C:61]([C:60]([C:59]([C:58](=[C:56]([C:55]([C:54]([C:53](=[C:51]([C:50]([C:49]([C:48](=[C:46]([C:45]([C:44]([C:43](=[C:41]([C:40]([H:163])([H:164])[H:165])[C:42]([H:107])([H:108])[H:109])[H:162])([H:160])[H:161])([H:158])[H:159])[C:47]([H:110])([H:111])[H:112])[H:157])([H:155])[H:156])([H:153])[H:154])[C:52]([H:113])([H:114])[H:115])[H:152])([H:150])[H:151])([H:148])[H:149])[C:57]([H:116])([H:117])[H:118])[H:147])([H:145])[H:146])([H:143])[H:144])[C:62]([H:119])([H:120])[H:121])[H:142])([H:140])[H:141])([H:138])[H:139])[C:67]([H:122])([H:123])[H:124])[H:137])([H:135])[H:136])([H:133])[H:134])[C:72]([H:125])([H:126])[H:127])[H:132])([H:130])[H:131])(=[O:77])[O:79][H:129])([H:94])[O:32][C@@:33]([C:34]([O:35][H:95])([H:96])[H:97])([H:98])[C@:36]([O:37][H:99])([H:100])[C@@:38]1([O:39][H:101])[H:102])[H:103])([H:104])([H:105])[H:106].[H][O:11][P:12](=[O:13])([O:14][H:82])[O:15][C:16]([C@@:17]1([H:83])[O:18][C@:19]([N:20]2:[C:21]([H:84]):[C:22]([H:85]):[C:23](=[O:24]):[N:25]([H:86]):[C:26]:2=[O:27])([H:87])[C@@:28]([O:29][H:88])([H:89])[C@@:30]1([O:31][H:90])[H:91])([H:92])[H:93]