SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:33]([C@@:34]([C:35]([H:81])([H:82])[H:83])([C:36](=[O:37])[N:38]([C@@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50](=[O:51])[O:52][H:93])([H:94])[H:95])([H:96])[H:97])([C:53](=[O:54])[O:55][H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H][N:33]([C@@:34]([C:35]([H:81])([H:82])[H:83])([C:36](=[O:37])[N:38]([C@@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50](=[O:51])[O:52][H:93])([H:94])[H:95])([H:96])[H:97])([C:53](=[O:54])[O:55][H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104]
Derived Operators
EVODEX.1-F380 - Elemental Balance
| O | -5 |
| C | -19 |
| N | -8 |
| H | -34 |
EVODEX.1-M380 - Mass Difference
-454.2655199999999
EVODEX.1-E1174 - Reaction Operator E
[#7:28](-[#6@:26])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H:117]>>[#7:28](-[#6@:26])(-[H:117])-[H]
EVODEX.1-C640 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30]
EVODEX.1-N795 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:30](-[#6@:28])-[H:124])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#7:30](-[#6@:28])-[H:124]
Source Full Reactions
EVODEX.1-R5876
[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]([H:60])[H:61])([H:62])[H:63])[H:64])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([H:65])[H:66])=[O:19])([H:67])[H:68])([H:69])[H:70])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26]([N:27]([C:28](=[N:29][H:71])[N:30]([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([C:31](=[O:32])[N:33]([C@@:34]([C:35]([H:81])([H:82])[H:83])([C:36](=[O:37])[N:38]([C@@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50](=[O:51])[O:52][H:93])([H:94])[H:95])([H:96])[H:97])([C:53](=[O:54])[O:55][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:113])([H:114])[H:115].[H][O:56][H:116]>>[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]([H:60])[H:61])([H:62])[H:63])[H:64])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]([C:17]([N:18]([H:65])[H:66])=[O:19])([H:67])[H:68])([H:69])[H:70])([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26]([N:27]([C:28](=[N:29][H:71])[N:30]([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([C:31](=[O:32])[O:56][H:116])[H:105])[H:106])[H:107])[H:108])[H:109])([H:110])[H:111])[H:112])([H:113])([H:114])[H:115].[H][N:33]([C@@:34]([C:35]([H:81])([H:82])[H:83])([C:36](=[O:37])[N:38]([C@@:39]([C:40]([C:41]([C:42]([H:84])([H:85])[H:86])([C:43]([H:87])([H:88])[H:89])[H:90])([H:91])[H:92])([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]([C:50](=[O:51])[O:52][H:93])([H:94])[H:95])([H:96])[H:97])([C:53](=[O:54])[O:55][H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104]