SMIRKS
[H][O:57][C:55]([C:53]([C:52]([C:51]([S:50][C:49]([H:143])([H:144])[H:145])([H:141])[H:142])([H:139])[H:140])=[O:54])=[O:56]>>[C:55](=[O:56])=[O:57].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:53]([C:52]([C:51]([S:50][C:49]([H:143])([H:144])[H:145])([H:141])[H:142])([H:139])[H:140])=[O:54])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1
Derived Operators
EVODEX.1-F48 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 34 |
EVODEX.1-M100 - Mass Difference
765.0998199999999
EVODEX.1-E536 - Reaction Operator E
[#6:52]-[#6:53](=[#8:54])-[#6:55](=[#8:56])-[#8:57]-[H]>>[#6:55](=[#8:56])=[#8:57].[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:53](-[#6:52])=[#8:54])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C228 - Reaction Operator C
[H]-[#8:57]-[#6:55]-[#6:53]>>[#6:55]=[#8:57].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:53])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2
EVODEX.1-N211 - Reaction Operator N
[H]-[#8:57]-[#6:55](-[#6:53](-[#6:52])=[#8:54])=[#8:56]>>[#6:55](=[#8:56])=[#8:57].[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:53](-[#6:52])=[#8:54])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2
EVODEX.1-Em301 - Reaction Operator Em
[H]-[#8:57]-[#6:55](-[#6:53](-[#6:52])=[#8:54])=[#8:56]>>[#6:55](=[#8:56])=[#8:57].[#6]-[#16]-[#6:53](-[#6:52])=[#8:54]
EVODEX.1-Nm297 - Reaction Operator Nm
[H]-[#8:57]-[#6:55](-[#6:53](-[#6:52])=[#8:54])=[#8:56]>>[#6:55](=[#8:56])=[#8:57].[#6]-[#16]-[#6:53](-[#6:52])=[#8:54]
Source Full Reactions
EVODEX.1-R755
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:135])([H:136])[H:137])([C:3]([H:102])([H:103])[H:104])[C:4]([O:5][P:6](=[O:7])([O:8][H:105])[O:9][P:10](=[O:11])([O:12][H:106])[O:13][C:14]([C@@:15]1([H:107])[O:16][C@:17]([N:18]2:[C:19]([H:108]):[N:20]:[C:21]3:[C:22]([N:23]([H:109])[H:110]):[N:24]:[C:25]([H:111]):[N:26]:[C:27]:2:3)([H:112])[C@@:28]([O:29][H:113])([H:114])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:115])[O:35][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([O:37][H:122])[H:134])=[O:39])[H:133])([H:131])[H:132])([H:129])[H:130])=[O:44])[H:128])([H:126])[H:127])([H:124])[H:125].[H][O:57][C:55]([C:53]([C:52]([C:51]([S:50][C:49]([H:143])([H:144])[H:145])([H:141])[H:142])([H:139])[H:140])=[O:54])=[O:56].[N:58]([C:59](=[O:60])[C:61]1:[C:62]([H:146]):[C:63]([H:147]):[C:64]([H:148]):[N+:65]([C@:66]2([H:149])[O:67][C@@:68]([C:69]([O:70][P:71](=[O:72])([O:73][H:150])[O:74][P:75](=[O:76])([O:77][H:151])[O:78][C:79]([C@@:80]3([H:152])[O:81][C@:82]([N:83]4:[C:84]([H:153]):[N:85]:[C:86]5:[C:87]([N:88]([H:154])[H:155]):[N:89]:[C:90]([H:156]):[N:91]:[C:92]:4:5)([H:157])[C@@:93]([O:94][H:158])([H:159])[C@@:95]3([O:96][H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[C@:97]([O:98][H:167])([H:168])[C@:99]2([O:100][H:169])[H:170]):[C:101]:1[H:171])([H:172])[H:173]>>[C:55](=[O:56])=[O:57].[C:1]([C:2]([C:3]([H:102])([H:103])[H:104])([C:4]([O:5][P:6](=[O:7])([O:8][H:105])[O:9][P:10](=[O:11])([O:12][H:106])[O:13][C:14]([C@@:15]1([H:107])[O:16][C@:17]([N:18]2:[C:19]([H:108]):[N:20]:[C:21]3:[C:22]([N:23]([H:109])[H:110]):[N:24]:[C:25]([H:111]):[N:26]:[C:27]:2:3)([H:112])[C@@:28]([O:29][H:113])([H:114])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:115])[O:35][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[C@@:36]([O:37][H:122])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:53]([C:52]([C:51]([S:50][C:49]([H:143])([H:144])[H:145])([H:141])[H:142])([H:139])[H:140])=[O:54])([H:124])[H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])[H:134])([H:135])([H:136])[H:137].[HH].[H][C:62]1([H:146])[C:61]([C:59]([N:58]([H:172])[H:173])=[O:60])=[C:101]([H:171])[N:65]([C@:66]2([H:149])[O:67][C@@:68]([C:69]([O:70][P:71](=[O:72])([O:73][H:150])[O:74][P:75](=[O:76])([O:77][H:151])[O:78][C:79]([C@@:80]3([H:152])[O:81][C@:82]([N:83]4:[C:84]([H:153]):[N:85]:[C:86]5:[C:87]([N:88]([H:154])[H:155]):[N:89]:[C:90]([H:156]):[N:91]:[C:92]:4:5)([H:157])[C@@:93]([O:94][H:158])([H:159])[C@@:95]3([O:96][H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[C@:97]([O:98][H:167])([H:168])[C@:99]2([O:100][H:169])[H:170])[C:64]([H:148])=[C:63]1[H:147]