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]([C:40]([H:112])([H:113])[H:114])([C:41]([H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([N:42]([C:43](=[O:44])[C@:45]1([H:121])[C:46]([H:122])([H:123])[C:47]([H:124])([H:125])[C:48]([H:126])([H:127])[N:49]1[H:128])[H:129])[H:130])[H:131])[H:132])[H:133])([C:50]([C:51]([H:134])([H:135])[H:136])([C:52]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])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:93][H:198]>>[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]([C:40]([H:112])([H:113])[H:114])([C:41]([H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([N:42]([C:43](=[O:44])[C@:45]1([H:121])[C:46]([H:122])([H:123])[C:47]([H:124])([H:125])[C:48]([H:126])([H:127])[N:49]1[H:128])[H:129])[H:130])[H:131])[H:132])[H:133])([C:50]([C:51]([H:134])([H:135])[H:136])([C:52]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])[O:93][H:198]
Derived Operators
EVODEX.1-F532 - Elemental Balance
| O | -9 |
| C | -35 |
| S | -2 |
| N | -13 |
| H | -67 |
EVODEX.1-M504 - Mass Difference
-877.4632099999999
EVODEX.1-E1351 - 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].[#8:90](-[H:189])-[H]>>[#6:20](=[#8:21])(-[#6:22])-[#8:90]-[H:189]
EVODEX.1-C661 - 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]-[#8:99]>>[#6:20]-[#8:99]
EVODEX.1-N818 - 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]-[#8:99]-[H:201]>>[#6:20](=[#8:21])(-[#6@:22])-[#8:99]-[H:201]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6077
[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]([C:40]([H:112])([H:113])[H:114])([C:41]([H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([N:42]([C:43](=[O:44])[C@:45]1([H:121])[C:46]([H:122])([H:123])[C:47]([H:124])([H:125])[C:48]([H:126])([H:127])[N:49]1[H:128])[H:129])[H:130])[H:131])[H:132])[H:133])([C:50]([C:51]([H:134])([H:135])[H:136])([C:52]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])[H:144])[H:145])[H:146])[H:147])[H:148])([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:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([C:73](=[N:74][H:156])[N:75]([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([C:76](=[O:77])[N:78]([C@@:79]([C:80]([C:81]([C:82]([N:83]([C:84](=[N:85][H:166])[N:86]([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([C:87](=[O:88])[O:89][H:176])[H:177])[H:178])[H:179])[H:180])[H:181])[H:182])([C@@:90]([C:91]([H:183])([H:184])[H:185])([O:92][H:186])[H:187])[H:188])[H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])([H:196])[H:197].[H][O:93][H:198]>>[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]([C:40]([H:112])([H:113])[H:114])([C:41]([H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([N:42]([C:43](=[O:44])[C@:45]1([H:121])[C:46]([H:122])([H:123])[C:47]([H:124])([H:125])[C:48]([H:126])([H:127])[N:49]1[H:128])[H:129])[H:130])[H:131])[H:132])[H:133])([C:50]([C:51]([H:134])([H:135])[H:136])([C:52]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])[O:93][H:198].[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:195])([H:196])[H:197])([H:193])[H:194])([H:191])[H:192])([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:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([N:72]([C:73](=[N:74][H:156])[N:75]([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([C:76](=[O:77])[N:78]([C@@:79]([C:80]([C:81]([C:82]([N:83]([C:84](=[N:85][H:166])[N:86]([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([C:87](=[O:88])[O:89][H:176])[H:177])[H:178])[H:179])[H:180])[H:181])[H:182])([C@@:90]([C:91]([H:183])([H:184])[H:185])([O:92][H:186])[H:187])[H:188])[H:189])[H:190])[H:148])=[O:8])([C:10]([H:94])([H:95])[H:96])[H:147])[H:146])=[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:145])[H:144]