SMIRKS
[H]OC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])[C:36]([C@@:30]([N:29]([C:27]([C@:5]([C:4]([C:2]([C:1]([H:122])([H:123])[H:124])([C:3]([H:61])([H:62])[H:63])[H:121])([H:119])[H:120])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:64])([H:65])[H:66])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:67])[H:68])([C:20]([C:21]([C:22]([H:69])([H:70])[H:71])([C:23]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:24]([C:25]([H:82])([H:83])[H:84])([C:26]([H:85])([H:86])[H:87])[H:88])[H:89])[H:90])[H:118])=[O:28])[H:117])([C:31]([C:32]([C:33]([N:34]([H:91])[H:92])=[O:35])([H:93])[H:94])([H:95])[H:96])[H:116])=[O:37].[H][O:60][H:125]>>[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]([H:64])([H:65])[H:66])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:67])[H:68])([C:20]([C:21]([C:22]([H:69])([H:70])[H:71])([C:23]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:24]([C:25]([H:82])([H:83])[H:84])([C:26]([H:85])([H:86])[H:87])[H:88])[H:89])[H:90])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([C:32]([C:33]([N:34]([H:91])[H:92])=[O:35])([H:93])[H:94])([H:95])[H:96])([C:36](=[O:37])[O:60][H:125])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])([H:122])([H:123])[H:124]
Derived Operators
EVODEX.1-F515 - Elemental Balance
| O | -4 |
| C | -14 |
| N | -4 |
| H | -20 |
EVODEX.1-M488 - Mass Difference
-308.14860000000004
EVODEX.1-E1333 - Reaction Operator E
[#6:37](-[#6@@:31])(=[#8:38])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](-[#7](-[H])-[H])=[#8])-[H])-[H])(-[H])-[H])-[H])-[H])-[H].[#8:61](-[H:126])-[H]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8:61]-[H:126]
EVODEX.1-C656 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7](-[H])-[#6:37].[H]-[#8:61]>>[#6:37]-[#8:61]
EVODEX.1-N812 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7](-[H])-[#6:37](-[#6@@:31])=[#8:38].[H]-[#8:61]-[H:121]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8:61]-[H:121]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6000
[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]([H:64])([H:65])[H:66])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:67])[H:68])([C:20]([C:21]([C:22]([H:69])([H:70])[H:71])([C:23]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:24]([C:25]([H:82])([H:83])[H:84])([C:26]([H:85])([H:86])[H:87])[H:88])[H:89])[H:90])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([C:32]([C:33]([N:34]([H:91])[H:92])=[O:35])([H:93])[H:94])([H:95])[H:96])([C:36](=[O:37])[N:38]([C@@:39]([C:40]([O:41][H:97])([H:98])[H:99])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]1:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[C:56]:1[H:104])([H:105])[H:106])([C:57]([N:58]([H:107])[H:108])=[O:59])[H:109])[H:110])([H:111])[H:112])[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][O:60][H:125]>>[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]([H:64])([H:65])[H:66])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:67])[H:68])([C:20]([C:21]([C:22]([H:69])([H:70])[H:71])([C:23]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:24]([C:25]([H:82])([H:83])[H:84])([C:26]([H:85])([H:86])[H:87])[H:88])[H:89])[H:90])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([C:32]([C:33]([N:34]([H:91])[H:92])=[O:35])([H:93])[H:94])([H:95])[H:96])([C:36](=[O:37])[O:60][H:125])[H:116])[H:117])[H:118])([H:119])[H:120])[H:121])([H:122])([H:123])[H:124].[H][N:38]([C@@:39]([C:40]([O:41][H:97])([H:98])[H:99])([C:42](=[O:43])[N:44]([C:45]([C:46](=[O:47])[N:48]([C@@:49]([C:50]([C:51]1:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[C:56]:1[H:104])([H:105])[H:106])([C:57]([N:58]([H:107])[H:108])=[O:59])[H:109])[H:110])([H:111])[H:112])[H:113])[H:114])[H:115]