SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:83])([H:84])[H:85])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:86])([H:87])[H:88])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([N:39]([C:40](=[O:41])[C@:42]([C:43]([C:44](=[O:45])[O:46][H:92])([H:93])[H:94])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:95])[H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:83])([H:84])[H:85])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:86])([H:87])[H:88])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([N:39]([C:40](=[O:41])[C@:42]([C:43]([C:44](=[O:45])[O:46][H:92])([H:93])[H:94])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:95])[H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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]
Derived Operators
EVODEX.1-F498 - Elemental Balance
| O | -3 |
| C | -13 |
| N | -3 |
| H | -23 |
EVODEX.1-M472 - Mass Difference
-269.17409
EVODEX.1-E1317 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](=[#8:8])-[#6@:9])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](=[#8:8])(-[#6@:9])-[#8]-[H]
EVODEX.1-C651 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N806 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6@:9])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6@:9]
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-R5945
[C:1]([C:2]([C@:3]([C:4]([H:70])([H:71])[H:72])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:83])([H:84])[H:85])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:86])([H:87])[H:88])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([N:39]([C:40](=[O:41])[C@:42]([C:43]([C:44](=[O:45])[O:46][H:92])([H:93])[H:94])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:95])[H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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])([C:55](=[O:56])[N:57]([C@:58]([C:59](=[O:60])[N:61]([C:62]([C:63](=[O:64])[O:65][H:116])([H:117])[H:118])[H:119])([C:66]([C:67]([H:120])([H:121])[H:122])([C:68]([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][O:69][H:136]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([N:15]([C:16](=[O:17])[C@:18]([C:19]([C:20](=[O:21])[O:22][H:83])([H:84])[H:85])([N:23]([C:24](=[O:25])[C@:26]([C:27]([C:28](=[O:29])[O:30][H:86])([H:87])[H:88])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36](=[O:37])[O:38][H:89])([H:90])[H:91])([N:39]([C:40](=[O:41])[C@:42]([C:43]([C:44](=[O:45])[O:46][H:92])([H:93])[H:94])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:95])[H:96])([C:52]([C:53]([H:97])([H:98])[H:99])([C:54]([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])[O:69][H:136].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([C:4]([H:70])([H:71])[H:72])[H:130])([C:55](=[O:56])[N:57]([C@:58]([C:59](=[O:60])[N:61]([C:62]([C:63](=[O:64])[O:65][H:116])([H:117])[H:118])[H:119])([C:66]([C:67]([H:120])([H:121])[H:122])([C:68]([H:123])([H:124])[H:125])[H:126])[H:127])[H:128])[H:129])[H:115]