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])[N:40]([C:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]1:[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]:1[H:91])([H:92])[H:93])([C:53]([N:54]([H:94])[H:95])=[O:55])[H:96])[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])[H:103])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])[N:40]([C:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]1:[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]:1[H:91])([H:92])[H:93])([C:53]([N:54]([H:94])[H:95])=[O:55])[H:96])[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])[H:103]
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-R6005
[C:1]([C:2]([C:3]([H:57])([H:58])[H:59])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:60])([H:61])[H:62])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:63])[H:64])([C:20]([O:21][H:65])([H:66])[H:67])[H:68])[H:69])[H:70])[H:71])([C:22]([C:23]([H:72])([H:73])[H:74])([C:24]([H:75])([H:76])[H:77])[H:78])[H:79])[H:80])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])([C:34](=[O:35])[N:36]([C:37]([C:38](=[O:39])[N:40]([C:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]1:[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]:1[H:91])([H:92])[H:93])([C:53]([N:54]([H:94])[H:95])=[O:55])[H:96])[H:97])([H:98])[H:99])[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][O:56][H:113]>>[C:1]([C:2]([C:3]([H:57])([H:58])[H:59])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:60])([H:61])[H:62])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:63])[H:64])([C:20]([O:21][H:65])([H:66])[H:67])[H:68])[H:69])[H:70])[H:71])([C:22]([C:23]([H:72])([H:73])[H:74])([C:24]([H:75])([H:76])[H:77])[H:78])[H:79])[H:80])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])([C:34](=[O:35])[O:56][H:113])[H:104])[H:105])[H:106])([H:107])[H:108])[H:109])([H:110])([H:111])[H:112].[H][N:36]([C:37]([C:38](=[O:39])[N:40]([C:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]1:[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]:1[H:91])([H:92])[H:93])([C:53]([N:54]([H:94])[H:95])=[O:55])[H:96])[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])[H:103]