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:20]([C: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:160])([H:161])[H:162])([H:158])[H:159])[H:157])[H:156])([H:154])[H:155])[H:153])[H:152])([H:150])[H:151])[H:149])[H:148])([H:146])[H:147])[H:145])[H:144])([H:142])[H:143])[H:141])[H:140])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])=[O:21])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(O[C:20]([C: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:160])([H:161])[H:162])([H:158])[H:159])[H:157])[H:156])([H:154])[H:155])[H:153])[H:152])([H:150])[H:151])[H:149])[H:148])([H:146])[H:147])[H:145])[H:144])([H:142])[H:143])[H:141])[H:140])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])=[O:21])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([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])[H]
Derived Operators
EVODEX.1-F357 - Elemental Balance
| P | -2 |
| O | -9 |
| S | -1 |
| N | -7 |
| H | 5 |
EVODEX.1-M361 - Mass Difference
-330.85634999999996
EVODEX.1-E1148 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#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]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[#6@](-[#6](-[#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])=[#8])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C331 - 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]-[#6:16])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#8]-[#6:16])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[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])-[H]
EVODEX.1-N384 - 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]-[#6:16](-[#6:15])=[#8:17])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#8]-[#6:16](-[#6:15])=[#8:17])-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[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])-[H]
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-R2468
[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]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][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: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][O:92][C@:91]([C:90]([O:89][C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79](=[C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([H:201])([H:202])[H:203])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])[H:186])[H:185])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:88])([H:169])[H:170])([C:93]([O:94][P:95](=[O:96])([O:97][H:164])[O:98][H:165])([H:166])[H:167])[H:168]>>[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]([C:19]([C:20](=[O:21])[O:92][C@:91]([C:90]([O:89][C:87]([C:86]([C:85]([C:84]([C:83]([C:82]([C:81]([C:80]([C:79](=[C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([H:201])([H:202])[H:203])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])[H:186])[H:185])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:88])([H:169])[H:170])([C:93]([O:94][P:95](=[O:96])([O:97][H:164])[O:98][H:165])([H:166])[H:167])[H:168])([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][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:99])([C:35]([C:36]([H:100])([H:101])[H:102])([C:37]([H:103])([H:104])[H:105])[C:38]([O:39][P:40](=[O:41])([O:42][H:106])[O:43][P:44](=[O:45])([O:46][H:107])[O:47][C:48]([C@@:49]1([H:108])[O:50][C@:51]([N:52]2:[C:53]([H:109]):[N:54]:[C:55]3:[C:56]([N:57]([H:110])[H:111]):[N:58]:[C:59]([H:112]):[N:60]:[C:61]:2:3)([H:113])[C@@:62]([O:63][H:114])([H:115])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:116])[O:69][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]