SMIRKS
[H][O:60][P:57]([O:56][C:55]([C:54](=[C:52]([C:51]([C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([C:30]([C:29](=[C:27]([C:26]([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:185])([H:186])[H:187])[C:3]([H:97])([H:98])[H:99])[H:184])([H:182])[H:183])([H:180])[H:181])[C:8]([H:100])([H:101])[H:102])[H:179])([H:177])[H:178])([H:175])[H:176])[C:13]([H:103])([H:104])[H:105])[H:174])([H:172])[H:173])([H:170])[H:171])[C:18]([H:106])([H:107])[H:108])[H:169])([H:167])[H:168])([H:165])[H:166])[C:23]([H:109])([H:110])[H:111])[H:164])([H:162])[H:163])([H:160])[H:161])[C:28]([H:112])([H:113])[H:114])[H:159])([H:157])[H:158])([H:155])[H:156])[C:33]([H:115])([H:116])[H:117])[H:154])([H:152])[H:153])([H:150])[H:151])[C:38]([H:118])([H:119])[H:120])[H:149])([H:147])[H:148])([H:145])[H:146])[C:43]([H:121])([H:122])[H:123])[H:144])([H:142])[H:143])([H:140])[H:141])[C:48]([H:124])([H:125])[H:126])[H:139])([H:137])[H:138])([H:135])[H:136])[C:53]([H:127])([H:128])[H:129])[H:134])([H:132])[H:133])(=[O:58])[O:59][H:130].[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])OP(=O)(O[H])O[C@@:79]1([H:193])[O:80][C@@:81]([C:82]([O:83][H:194])([H:195])[H:196])([H:197])[C@:84]([O:85][H:198])([H:199])[C@@:86]([O:87][H:200])([H:201])[C@:88]1([O:89][H:202])[H:203]>>[C:1]([C:2]([C:3]([H:97])([H:98])[H:99])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:100])([H:101])[H:102])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:103])([H:104])[H:105])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:106])([H:107])[H:108])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:109])([H:110])[H:111])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:112])([H:113])[H:114])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:115])([H:116])[H:117])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:118])([H:119])[H:120])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:121])([H:122])[H:123])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:124])([H:125])[H:126])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:127])([H:128])[H:129])=[C:54]([C:55]([O:56][P:57](=[O:58])([O:59][H:130])[O:60][C@:79]1([H:193])[O:80][C@@:81]([C:82]([O:83][H:194])([H:195])[H:196])([H:197])[C@:84]([O:85][H:198])([H:199])[C@@:86]([O:87][H:200])([H:201])[C@:88]1([O:89][H:202])[H:203])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])([H:186])[H:187]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1113 - Reaction Operator E
[#8](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#8:42](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15:41]
EVODEX.1-C64 - 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])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N1205 - Reaction Operator N
[H]-[#8:29]-[#15:27].[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]-[H])-[#8]-[#6@@:49](-[H:115])(-[#8:50])-[#6@:56]>>[#15:27]-[#8:29]-[#6@:49](-[H:115])(-[#8:50])-[#6@:56]
EVODEX.1-Em99 - Reaction Operator Em
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
EVODEX.1-Nm132 - Reaction Operator Nm
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
Source Full Reactions
EVODEX.1-R2988
[H][O:60][P:57]([O:56][C:55]([C:54](=[C:52]([C:51]([C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([C:30]([C:29](=[C:27]([C:26]([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:185])([H:186])[H:187])[C:3]([H:97])([H:98])[H:99])[H:184])([H:182])[H:183])([H:180])[H:181])[C:8]([H:100])([H:101])[H:102])[H:179])([H:177])[H:178])([H:175])[H:176])[C:13]([H:103])([H:104])[H:105])[H:174])([H:172])[H:173])([H:170])[H:171])[C:18]([H:106])([H:107])[H:108])[H:169])([H:167])[H:168])([H:165])[H:166])[C:23]([H:109])([H:110])[H:111])[H:164])([H:162])[H:163])([H:160])[H:161])[C:28]([H:112])([H:113])[H:114])[H:159])([H:157])[H:158])([H:155])[H:156])[C:33]([H:115])([H:116])[H:117])[H:154])([H:152])[H:153])([H:150])[H:151])[C:38]([H:118])([H:119])[H:120])[H:149])([H:147])[H:148])([H:145])[H:146])[C:43]([H:121])([H:122])[H:123])[H:144])([H:142])[H:143])([H:140])[H:141])[C:48]([H:124])([H:125])[H:126])[H:139])([H:137])[H:138])([H:135])[H:136])[C:53]([H:127])([H:128])[H:129])[H:134])([H:132])[H:133])(=[O:58])[O:59][H:130].[O:61]=[C:62]1:[C:63]([H:188]):[C:64]([H:189]):[N:65]([C@:66]2([H:190])[O:67][C@@:68]([C:69]([O:70][P:71](=[O:72])([O:73][H:191])[O:74][P:75](=[O:76])([O:77][H:192])[O:78][C@@:79]3([H:193])[O:80][C@@:81]([C:82]([O:83][H:194])([H:195])[H:196])([H:197])[C@:84]([O:85][H:198])([H:199])[C@@:86]([O:87][H:200])([H:201])[C@:88]3([O:89][H:202])[H:203])([H:204])[H:205])([H:206])[C@:90]([O:91][H:207])([H:208])[C@:92]2([O:93][H:209])[H:210]):[C:94](=[O:95]):[N:96]:1[H:211]>>[C:1]([C:2]([C:3]([H:97])([H:98])[H:99])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:100])([H:101])[H:102])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:103])([H:104])[H:105])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:106])([H:107])[H:108])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:109])([H:110])[H:111])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:112])([H:113])[H:114])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:115])([H:116])[H:117])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:118])([H:119])[H:120])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:121])([H:122])[H:123])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:124])([H:125])[H:126])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:127])([H:128])[H:129])=[C:54]([C:55]([O:56][P:57](=[O:58])([O:59][H:130])[O:60][C@:79]1([H:193])[O:80][C@@:81]([C:82]([O:83][H:194])([H:195])[H:196])([H:197])[C@:84]([O:85][H:198])([H:199])[C@@:86]([O:87][H:200])([H:201])[C@:88]1([O:89][H:202])[H:203])([H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])([H:186])[H:187].[H][O:78][P:75]([O:74][P:71]([O:70][C:69]([C@@:68]1([H:206])[O:67][C@:66]([N:65]2:[C:64]([H:189]):[C:63]([H:188]):[C:62](=[O:61]):[N:96]([H:211]):[C:94]:2=[O:95])([H:190])[C@@:92]([O:93][H:209])([H:210])[C@@:90]1([O:91][H:207])[H:208])([H:204])[H:205])(=[O:72])[O:73][H:191])(=[O:76])[O:77][H:192]