SMIRKS
[H]OC([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:36]([C@@:37]([C:38]([O:39][H:89])([H:90])[H:91])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:92]):[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])([C:55]([N:56]([H:99])[H:100])=[O:57])[H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])N([H])[H]>>[H][N:36]([C@@:37]([C:38]([O:39][H:89])([H:90])[H:91])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:92]):[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])([C:55]([N:56]([H:99])[H:100])=[O:57])[H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107]
Derived Operators
EVODEX.1-F517 - Elemental Balance
| O | -7 |
| C | -22 |
| N | -6 |
| H | -38 |
EVODEX.1-M490 - Mass Difference
-498.28044
EVODEX.1-E1335 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#7:36](-[#6@@:37])-[H:163])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#7:36](-[#6@@:37])(-[H:163])-[H]
EVODEX.1-C657 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:36])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7](-[H])-[H]>>[H]-[#7:36]
EVODEX.1-N813 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:36](-[#6@@:37])-[H:163])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7](-[H])-[H]>>[H]-[#7:36](-[#6@@:37])-[H:163]
Source Full Reactions
EVODEX.1-R6007
[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C:22]([C:23]([H:74])([H:75])[H:76])([C:24]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:83])[H:84])=[O:33])([H:85])[H:86])([H:87])[H:88])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([O:39][H:89])([H:90])[H:91])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:92]):[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])([C:55]([N:56]([H:99])[H:100])=[O:57])[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])[H:116].[H][O:58][H:117]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C:22]([C:23]([H:74])([H:75])[H:76])([C:24]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:83])[H:84])=[O:33])([H:85])[H:86])([H:87])[H:88])([C:34](=[O:35])[O:58][H:117])[H:108])[H:109])[H:110])([H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][N:36]([C@@:37]([C:38]([O:39][H:89])([H:90])[H:91])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:92]):[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]:1[H:96])([H:97])[H:98])([C:55]([N:56]([H:99])[H:100])=[O:57])[H:101])[H:102])([H:103])[H:104])[H:105])[H:106])[H:107]