SMIRKS
[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:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:134])([H:135])[H:136])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:8])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[N:57]([C:58]1:[N:59]:[C:60]([H:137]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:138]):[N:66]:2[C@:67]1([H:139])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:140])[O:75][H:141])([H:142])[H:143])([H:144])[C@:76]([O:77][H:145])([H:146])[C@:78]1([O:79][H:147])[H:148])([H:149])[H:150]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:74][H:140])([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]OP(=O)(O[H])OP(=O)(O[H])O[P:72]([O:71][C:70]([C@@:69]1([H:144])[O:68][C@:67]([N:66]2:[C:62]3:[N:61]:[C:60]([H:137]):[N:59]:[C:58]([N:57]([H:149])[H:150]):[C:63]:3:[N:64]:[C:65]:2[H:138])([H:139])[C@@:78]([O:79][H:147])([H:148])[C@@:76]1([O:77][H:145])[H:146])([H:142])[H:143])(=[O:73])[O:75][H:141]
Derived Operators
EVODEX.1-F374 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -32 |
EVODEX.1-M376 - Mass Difference
-589.1722599999999
EVODEX.1-E1166 - Reaction Operator E
[#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]-[#6:49](=[#8:50])-[#6@:51])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:80]-[#15:81](=[#8:82])(-[#8:83]-[H:143])-[#8:84]>>[#6:49](=[#8:50])(-[#6@:51])-[#8:83]-[H:143].[#8:80]-[#15:81](=[#8:82])(-[#8:84])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-C767 - Reaction Operator C
[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]-[#6:49])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#15:81]-[#8:83].[#6@:85]-[#6@:87])>>[#6:49]-[#8:83].([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:81].[#6@@:87]-[#6@@:85])
EVODEX.1-N978 - Reaction Operator N
[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]-[#6:49](=[#8:50])-[#6@:51])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#8:80]-[#15:81](=[#8:82])(-[#8:83]-[H:143])-[#8:84].[#8:86]-[#6@@:85](-[#6@@:78])(-[H:149])-[#6@:87](-[#6@:76])(-[#8:88])-[H:151])>>[#6:49](=[#8:50])(-[#6@:51])-[#8:83]-[H:143].([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:81](-[#8:80])(=[#8:82])-[#8:84].[#8:88]-[#6@:87](-[#6@:76])(-[H:151])-[#6@@:85](-[#6@@:78])(-[#8:86])-[H:149])
EVODEX.1-Em140 - Reaction Operator Em
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8:80]-[#15:81](=[#8:82])(-[#8:83])-[#8:84]>>[#6:49](=[#8:50])(-[#6:51])-[#8:83].[#15]-[#8]-[#15:81](-[#8:80])(=[#8:82])-[#8:84]
EVODEX.1-Nm173 - Reaction Operator Nm
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51].[#8:80]-[#15:81](=[#8:82])(-[#8:83])-[#8:84]>>[#6:49](=[#8:50])(-[#6:51])-[#8:83].[#15]-[#8]-[#15:81](-[#8:80])(=[#8:82])-[#8:84]
Source Full Reactions
EVODEX.1-R7205
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123])([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].[N:57]([C:58]1:[N:59]:[C:60]([H:137]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:138]):[N:66]:2[C@:67]1([H:139])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:140])[O:75][H:141])([H:142])[H:143])([H:144])[C@:76]([O:77][H:145])([H:146])[C@:78]1([O:79][H:147])[H:148])([H:149])[H:150].[H][O:82][P:81](=[O:80])([O:83][H:152])[O:84][P:85](=[O:86])([O:87][H:153])[O:88][H:154]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:74][H:140])([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].[N:57]([C:58]1:[N:59]:[C:60]([H:137]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:138]):[N:66]:2[C@:67]1([H:139])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:75][H:141])[O:82][P:81](=[O:80])([O:83][H:152])[O:84][P:85](=[O:86])([O:87][H:153])[O:88][H:154])([H:142])[H:143])([H:144])[C@:76]([O:77][H:145])([H:146])[C@:78]1([O:79][H:147])[H:148])([H:149])[H:150].[H][S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:89])([C:22]([C:23]([H:90])([H:91])[H:92])([C:24]([H:93])([H:94])[H:95])[C:25]([O:26][P:27](=[O:28])([O:29][H:96])[O:30][P:31](=[O:32])([O:33][H:97])[O:34][C:35]([C@@:36]1([H:98])[O:37][C@:38]([N:39]2:[C:40]([H:99]):[N:41]:[C:42]3:[C:43]([N:44]([H:100])[H:101]):[N:45]:[C:46]([H:102]):[N:47]:[C:48]:2:3)([H:103])[C@@:49]([O:50][H:104])([H:105])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:106])[O:56][H:107])[H:108])([H:109])[H:110])([H:111])[H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])([H:120])[H:121])([H:122])[H:123]