SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:73])[N:28]([H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:83])([H:84])[H:85])([C:40]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:92])([H:93])[H:94])([C:48]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([C:54]([C:55]([H:110])([H:111])[H:112])([C:56]([H:113])([H:114])[H:115])[H:116])[H:117])[H:118])[H:119])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:73])[N:28]([H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:83])([H:84])[H:85])([C:40]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:92])([H:93])[H:94])([C:48]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([C:54]([C:55]([H:110])([H:111])[H:112])([C:56]([H:113])([H:114])[H:115])[H:116])[H:117])[H:118])[H:119]
Derived Operators
EVODEX.1-F500 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -3 |
| H | -25 |
EVODEX.1-M473 - Mass Difference
-283.18975
EVODEX.1-E1318 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8]-[H]
EVODEX.1-C648 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33]
EVODEX.1-N803 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33](-[#6@@:30])=[#8:34])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33](-[#6@@:30])=[#8:34]
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-R5919
[C:1]([C:2]([C:3]([H:61])([H:62])[H:63])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:64])([H:65])[H:66])([C:17]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([N:18]([C:19](=[O:20])[C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:73])[N:28]([H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:83])([H:84])[H:85])([C:40]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:92])([H:93])[H:94])([C:48]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([C:54]([C:55]([H:110])([H:111])[H:112])([C:56]([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])([C:57](=[O:58])[O:59][H:126])[H:127])([H:128])[H:129])[H:130])([H:131])([H:132])[H:133].[H][O:60][H:134]>>[C:19](=[O:20])([C@:21]([C:22]([C:23]([C:24]([N:25]([C:26](=[N:27][H:73])[N:28]([H:74])[H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:29]([C:30](=[O:31])[C@@:32]([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([H:83])([H:84])[H:85])([C:40]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])([N:41]([C:42](=[O:43])[C@:44]([C:45]([C:46]([C:47]([H:92])([H:93])[H:94])([C:48]([H:95])([H:96])[H:97])[H:98])([H:99])[H:100])([N:49]([C:50](=[O:51])[C:52]([N:53]([H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([C:54]([C:55]([H:110])([H:111])[H:112])([C:56]([H:113])([H:114])[H:115])[H:116])[H:117])[H:118])[H:119])[O:60][H:134].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:131])([H:132])[H:133])([C:3]([H:61])([H:62])[H:63])[H:130])([H:128])[H:129])([C:57](=[O:58])[O:59][H:126])[H:127])[H:125])=[O:8])([H:123])[H:124])[H:122])=[O:12])([C:14]([C:15]([C:16]([H:64])([H:65])[H:66])([C:17]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])[H:121])[H:120]