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:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30](=[C:29]([C:28]([C@@:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:191])([H:192])[H:193])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([O:27][H:126])[H:180])([H:178])[H:179])[H:177])[H:176])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])=[O:39])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30](=[C:29]([C:28]([C@@:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:191])([H:192])[H:193])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([O:27][H:126])[H:180])([H:178])[H:179])[H:177])[H:176])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])=[O:39]
Derived Operators
EVODEX.1-F365 - Elemental Balance
| P | -3 |
| O | -15 |
| C | -3 |
| S | -1 |
| N | -7 |
| H | 2 |
EVODEX.1-M367 - Mass Difference
-496.82304
EVODEX.1-E1157 - Reaction Operator E
[#6:13]-[#6:14](=[#8:15])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#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])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:13]-[#6:14](=[#8:15])-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]
EVODEX.1-C362 - 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]-[#6:18])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:18]
EVODEX.1-N415 - 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]-[#6:18](-[#6:17])=[#8:19])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Em7 - Reaction Operator Em
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
EVODEX.1-Nm8 - Reaction Operator Nm
[#6]-[#16]-[#6:37](-[#6:36])=[#8:38]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38]
Source Full Reactions
EVODEX.1-R2662
[H][O:19][C:18]([C:17]([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:123])([H:124])[H:125])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([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])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90].[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C@@:26]([O:27][H:126])([C:28]([C:29](=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38](=[O:39])[S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:127])([C:53]([C:54]([H:128])([H:129])[H:130])([C:55]([H:131])([H:132])[H:133])[C:56]([O:57][P:58](=[O:59])([O:60][H:134])[O:61][P:62](=[O:63])([O:64][H:135])[O:65][C:66]([C@@:67]1([H:136])[O:68][C@:69]([N:70]2:[C:71]([H:137]):[N:72]:[C:73]3:[C:74]([N:75]([H:138])[H:139]):[N:76]:[C:77]([H:140]):[N:78]:[C:79]:2:3)([H:141])[C@@:80]([O:81][H:142])([H:143])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:144])[O:87][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:188])([H:189])[H:190])([H:191])([H:192])[H:193]>>[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]([C:17]([C:18]([O:19][C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30](=[C:29]([C:28]([C@@:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:191])([H:192])[H:193])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([O:27][H:126])[H:180])([H:178])[H:179])[H:177])[H:176])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])=[O:39])([H:89])[H:90])([H:91])[H:92])([H:93])[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:118])([H:119])[H:120])([H:121])[H:122])([H:123])([H:124])[H:125].[H][S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:127])([C:53]([C:54]([H:128])([H:129])[H:130])([C:55]([H:131])([H:132])[H:133])[C:56]([O:57][P:58](=[O:59])([O:60][H:134])[O:61][P:62](=[O:63])([O:64][H:135])[O:65][C:66]([C@@:67]1([H:136])[O:68][C@:69]([N:70]2:[C:71]([H:137]):[N:72]:[C:73]3:[C:74]([N:75]([H:138])[H:139]):[N:76]:[C:77]([H:140]):[N:78]:[C:79]:2:3)([H:141])[C@@:80]([O:81][H:142])([H:143])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:144])[O:87][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]