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:37]([C@@:31]([N:30]([C:28]([C@@:20]([N:19]([C:17]([C@:4]([C:2]([C:1]([H:118])([H:119])[H:120])([C:3]([H:62])([H:63])[H:64])[H:117])([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:65])([H:66])[H:67])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:68])[H:69])([C:15]([O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:116])=[O:18])[H:115])([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:77])[N:27]([H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])[H:114])=[O:29])[H:113])([C:32]([C:33]([C:34]([N:35]([H:87])[H:88])=[O:36])([H:89])[H:90])([H:91])[H:92])[H:112])=[O:38].[H][O:61][H:121]>>[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:65])([H:66])[H:67])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:68])[H:69])([C:15]([O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:77])[N:27]([H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:87])[H:88])=[O:36])([H:89])[H:90])([H:91])[H:92])([C:37](=[O:38])[O:61][H:121])[H:112])[H:113])[H:114])[H:115])[H:116])[H:117])([H:118])([H:119])[H:120]
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-R6008
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:65])([H:66])[H:67])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:68])[H:69])([C:15]([O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:77])[N:27]([H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:87])[H:88])=[O:36])([H:89])[H:90])([H:91])[H:92])([C:37](=[O:38])[N:39]([C@@:40]([C:41]([O:42][H:93])([H:94])[H:95])([C:43](=[O:44])[N:45]([C:46]([C:47](=[O:48])[N:49]([C@@:50]([C:51]([C:52]1:[C:53]([H:96]):[C:54]([H:97]):[C:55]([H:98]):[C:56]([H:99]):[C:57]:1[H:100])([H:101])[H:102])([C:58]([N:59]([H:103])[H:104])=[O:60])[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:117])([H:118])([H:119])[H:120].[H][O:61][H:121]>>[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:65])([H:66])[H:67])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:68])[H:69])([C:15]([O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])[H:76])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([N:24]([C:25](=[N:26][H:77])[N:27]([H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:87])[H:88])=[O:36])([H:89])[H:90])([H:91])[H:92])([C:37](=[O:38])[O:61][H:121])[H:112])[H:113])[H:114])[H:115])[H:116])[H:117])([H:118])([H:119])[H:120].[H][N:39]([C@@:40]([C:41]([O:42][H:93])([H:94])[H:95])([C:43](=[O:44])[N:45]([C:46]([C:47](=[O:48])[N:49]([C@@:50]([C:51]([C:52]1:[C:53]([H:96]):[C:54]([H:97]):[C:55]([H:98]):[C:56]([H:99]):[C:57]:1[H:100])([H:101])[H:102])([C:58]([N:59]([H:103])[H:104])=[O:60])[H:105])[H:106])([H:107])[H:108])[H:109])[H:110])[H:111]