SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:20](=[O:21])[C@:22]([C:23]([O:24][H:106])([H:107])[H:108])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([H:109])([H:110])[H:111])([N:34]([C:35](=[O:36])[C@:37]([C:38]([C:39]([N:40]([H:112])[H:113])=[O:41])([H:114])[H:115])([N:42]([C:43](=[O:44])[C@:45]1([H:116])[C:46]([H:117])([H:118])[C:47]([H:119])([H:120])[C:48]([H:121])([H:122])[N:49]1[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])([C:50]([C:51]([H:129])([H:130])[H:131])([C:52]([H:132])([H:133])[H:134])[H:135])[H:136])[H:137])[H:138])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H]>>[H]O[C:20](=[O:21])[C@:22]([C:23]([O:24][H:106])([H:107])[H:108])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([H:109])([H:110])[H:111])([N:34]([C:35](=[O:36])[C@:37]([C:38]([C:39]([N:40]([H:112])[H:113])=[O:41])([H:114])[H:115])([N:42]([C:43](=[O:44])[C@:45]1([H:116])[C:46]([H:117])([H:118])[C:47]([H:119])([H:120])[C:48]([H:121])([H:122])[N:49]1[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])([C:50]([C:51]([H:129])([H:130])[H:131])([C:52]([H:132])([H:133])[H:134])[H:135])[H:136])[H:137])[H:138]
Derived Operators
EVODEX.1-F533 - Elemental Balance
| O | -8 |
| C | -35 |
| S | -2 |
| N | -13 |
| H | -65 |
EVODEX.1-M505 - Mass Difference
-859.4526500000001
EVODEX.1-E1352 - Reaction Operator E
[#6](-[#16]-[#6](-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:20](=[#8:21])-[#6:22])-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[#6@@](-[#6](-[H])(-[H])-[H])(-[#8]-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:20](=[#8:21])(-[#6:22])-[#8]-[H]
EVODEX.1-C662 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#7]-[H])-[#7](-[H])-[H]>>[H]-[#8]-[#6:20]
EVODEX.1-N819 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20](=[#8:21])-[#6@:22])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#7]-[H])-[#7](-[H])-[H]>>[H]-[#8]-[#6:20](=[#8:21])-[#6@:22]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6075
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:94])([H:95])[H:96])([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([H:97])([H:98])[H:99])([C:18]([H:100])([H:101])[H:102])[H:103])([H:104])[H:105])([N:19]([C:20](=[O:21])[C@:22]([C:23]([O:24][H:106])([H:107])[H:108])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([H:109])([H:110])[H:111])([N:34]([C:35](=[O:36])[C@:37]([C:38]([C:39]([N:40]([H:112])[H:113])=[O:41])([H:114])[H:115])([N:42]([C:43](=[O:44])[C@:45]1([H:116])[C:46]([H:117])([H:118])[C:47]([H:119])([H:120])[C:48]([H:121])([H:122])[N:49]1[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])([C:50]([C:51]([H:129])([H:130])[H:131])([C:52]([H:132])([H:133])[H:134])[H:135])[H:136])[H:137])[H:138])[H:139])[H:140])[H:141])[H:142])[H:143])([C:53](=[O:54])[N:55]([C@:56]([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([S:63][C:64]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([C:73](=[N:74][H:151])[N:75]([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([H:159])[H:160])([C:76](=[O:77])[N:78]([C@@:79]([C:80]([C:81]([C:82]([N:83]([C:84](=[N:85][H:161])[N:86]([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([C:87](=[O:88])[O:89][H:171])[H:172])[H:173])[H:174])[H:175])[H:176])[H:177])([C@@:90]([C:91]([H:178])([H:179])[H:180])([O:92][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][O:93][H:193]>>[C:20](=[O:21])([C@:22]([C:23]([O:24][H:106])([H:107])[H:108])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([H:109])([H:110])[H:111])([N:34]([C:35](=[O:36])[C@:37]([C:38]([C:39]([N:40]([H:112])[H:113])=[O:41])([H:114])[H:115])([N:42]([C:43](=[O:44])[C@:45]1([H:116])[C:46]([H:117])([H:118])[C:47]([H:119])([H:120])[C:48]([H:121])([H:122])[N:49]1[H:123])[H:124])[H:125])[H:126])[H:127])[H:128])([C:50]([C:51]([H:129])([H:130])[H:131])([C:52]([H:132])([H:133])[H:134])[H:135])[H:136])[H:137])[H:138])[O:93][H:193].[H][N:19]([C@:14]([C:12]([N:11]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:190])([H:191])[H:192])([H:188])[H:189])([H:186])[H:187])([C:53](=[O:54])[N:55]([C@:56]([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([S:63][C:64]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([C:73](=[N:74][H:151])[N:75]([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])([H:159])[H:160])([C:76](=[O:77])[N:78]([C@@:79]([C:80]([C:81]([C:82]([N:83]([C:84](=[N:85][H:161])[N:86]([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])([H:169])[H:170])([C:87](=[O:88])[O:89][H:171])[H:172])[H:173])[H:174])[H:175])[H:176])[H:177])([C@@:90]([C:91]([H:178])([H:179])[H:180])([O:92][H:181])[H:182])[H:183])[H:184])[H:185])[H:143])=[O:8])([C:10]([H:94])([H:95])[H:96])[H:142])[H:141])=[O:13])([C:15]([C:16]([C:17]([H:97])([H:98])[H:99])([C:18]([H:100])([H:101])[H:102])[H:103])([H:104])[H:105])[H:140])[H:139]