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:16]([C:15](=[C:14]([C:13]([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:138])([H:139])[H:140])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])[H:113])[H:112])=[O:17])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:72][C@@:71]([C:70]([N+:67]([C:66]([H:154])([H:155])[H:156])([C:68]([H:141])([H:142])[H:143])[C:69]([H:144])([H:145])[H:146])([H:152])[H:153])([C:73]([C:74](=[O:75])[O:76][H:148])([H:149])[H:150])[H:151]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16](=[O:17])[O:72][C@@:71]([C:70]([N+:67]([C:66]([H:154])([H:155])[H:156])([C:68]([H:141])([H:142])[H:143])[C:69]([H:144])([H:145])[H:146])([H:152])[H:153])([C:73]([C:74](=[O:75])[O:76][H:148])([H:149])[H:150])[H:151])[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])[H:137])([H:138])([H:139])[H:140]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-C5 - 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.[H]-[#8:61]>>[#6:49]-[#8:61]
EVODEX.1-N3 - 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]-[#6:12](-[#6:11])=[#8:13])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
EVODEX.1-Em92 - Reaction Operator Em
[#6]-[#16]-[#6:20](-[#6:19]=[#6:18])=[#8:21].[H]-[#8:84]-[#6:83]>>[#6:18]=[#6:19]-[#6:20](=[#8:21])-[#8:84]-[#6:83]
EVODEX.1-Nm40 - Reaction Operator Nm
[#6]-[#16]-[#6:12](-[#6:11])=[#8:13].[H]-[#8:72]-[#6:71]>>[#6:11]-[#6:12](=[#8:13])-[#8:72]-[#6:71]
Source Full Reactions
EVODEX.1-R2227
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16](=[O:17])[S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:77])([C:31]([C:32]([H:78])([H:79])[H:80])([C:33]([H:81])([H:82])[H:83])[C:34]([O:35][P:36](=[O:37])([O:38][H:84])[O:39][P:40](=[O:41])([O:42][H:85])[O:43][C:44]([C@@:45]1([H:86])[O:46][C@:47]([N:48]2:[C:49]([H:87]):[N:50]:[C:51]3:[C:52]([N:53]([H:88])[H:89]):[N:54]:[C:55]([H:90]):[N:56]:[C:57]:2:3)([H:91])[C@@:58]([O:59][H:92])([H:93])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:94])[O:65][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: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])[H:137])([H:138])([H:139])[H:140].[H][O:72][C@@:71]([C:70]([N+:67]([C:66]([H:154])([H:155])[H:156])([C:68]([H:141])([H:142])[H:143])[C:69]([H:144])([H:145])[H:146])([H:152])[H:153])([C:73]([C:74](=[O:75])[O:76][H:148])([H:149])[H:150])[H:151]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C:16](=[O:17])[O:72][C@@:71]([C:70]([N+:67]([C:66]([H:154])([H:155])[H:156])([C:68]([H:141])([H:142])[H:143])[C:69]([H:144])([H:145])[H:146])([H:152])[H:153])([C:73]([C:74](=[O:75])[O:76][H:148])([H:149])[H:150])[H:151])[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])[H:137])([H:138])([H:139])[H:140].[H][S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:77])([C:31]([C:32]([H:78])([H:79])[H:80])([C:33]([H:81])([H:82])[H:83])[C:34]([O:35][P:36](=[O:37])([O:38][H:84])[O:39][P:40](=[O:41])([O:42][H:85])[O:43][C:44]([C@@:45]1([H:86])[O:46][C@:47]([N:48]2:[C:49]([H:87]):[N:50]:[C:51]3:[C:52]([N:53]([H:88])[H:89]):[N:54]:[C:55]([H:90]):[N:56]:[C:57]:2:3)([H:91])[C@@:58]([O:59][H:92])([H:93])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:94])[O:65][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]