SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])([H:116])[H:117]>>[H][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:115])([H:116])[H:117])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])=[O:13].[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:14][H:94]
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-R670
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])([H:116])[H:117].[HH].[H][C:62]1([H:144])[C:18]([C:16]([N:15]([H:146])[H:147])=[O:17])=[C:19]([H:118])[N:20]([C@:21]2([H:119])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:120])[O:29][P:30](=[O:31])([O:32][H:121])[O:33][C:34]([C@@:35]3([H:122])[O:36][C@:37]([N:38]4:[C:39]([H:123]):[N:40]:[C:41]5:[C:42]([N:43]([H:124])[H:125]):[N:44]:[C:45]([H:126]):[N:46]:[C:47]:4:5)([H:127])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:128])[O:53][H:129])([H:130])[C@@:54]3([O:55][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[C@:56]([O:57][H:138])([H:139])[C@:58]2([O:59][H:140])[H:141])[C:60]([H:142])=[C:61]1[H:143].[N:63]([C:64]1:[N:65]:[C:66]([H:148]):[N:67]:[C:68]2:[C:69]:1:[N:70]:[C:71]([H:149]):[N:72]:2[C@:73]1([H:150])[O:74][C@@:75]([C:76]([O:77][P:78](=[O:79])([O:80][H:151])[O:81][P:82](=[O:83])([O:84][H:152])[O:85][P:86](=[O:87])([O:88][H:153])[O:89][H:154])([H:155])[H:156])([H:157])[C@:90]([O:91][H:158])([H:159])[C@:92]1([O:93][H:160])[H:161])([H:162])[H:163]>>[H][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:115])([H:116])[H:117])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])=[O:13].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:118]):[N+:20]([C@:21]2([H:119])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:120])[O:29][P:30](=[O:31])([O:32][H:121])[O:33][C:34]([C@@:35]3([H:122])[O:36][C@:37]([N:38]4:[C:39]([H:123]):[N:40]:[C:41]5:[C:42]([N:43]([H:124])[H:125]):[N:44]:[C:45]([H:126]):[N:46]:[C:47]:4:5)([H:127])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:128])[O:53][H:129])([H:130])[C@@:54]3([O:55][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[C@:56]([O:57][H:138])([H:139])[C@:58]2([O:59][H:140])[H:141]):[C:60]([H:142]):[C:61]([H:143]):[C:62]:1[H:144])([H:146])[H:147].[O:14]([P:78]([O:77][C:76]([C@@:75]1([H:157])[O:74][C@:73]([N:72]2:[C:68]3:[N:67]:[C:66]([H:148]):[N:65]:[C:64]([N:63]([H:162])[H:163]):[C:69]:3:[N:70]:[C:71]:2[H:149])([H:150])[C@@:92]([O:93][H:160])([H:161])[C@@:90]1([O:91][H:158])[H:159])([H:155])[H:156])(=[O:79])[O:80][H:151])[H:94].[H][O:81][P:82](=[O:83])([O:84][H:152])[O:85][P:86](=[O:87])([O:88][H:153])[O:89][H:154]