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@:5]([C:4]([C:2]([C:1]([H:123])([H:124])[H:125])([C:3]([H:62])([H:63])[H:64])[H:122])([H:120])[H:121])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:74])[H:75])([C:23]([O:24][H:76])([H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([C:25]([C:26]([H:83])([H:84])[H:85])([C:27]([H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:119])=[O:29])[H:118])([C:32]([C:33]([C:34]([N:35]([H:92])[H:93])=[O:36])([H:94])[H:95])([H:96])[H:97])[H:117])=[O:38]>>[H]O[C:37]([C@@:31]([N:30]([C:28]([C@:5]([C:4]([C:2]([C:1]([H:123])([H:124])[H:125])([C:3]([H:62])([H:63])[H:64])[H:122])([H:120])[H:121])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:74])[H:75])([C:23]([O:24][H:76])([H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([C:25]([C:26]([H:83])([H:84])[H:85])([C:27]([H:86])([H:87])[H:88])[H:89])[H:90])[H:91])[H:119])=[O:29])[H:118])([C:32]([C:33]([C:34]([N:35]([H:92])[H:93])=[O:36])([H:94])[H:95])([H:96])[H:97])[H:117])=[O:38]
Derived Operators
EVODEX.1-F516 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -4 |
| H | -18 |
EVODEX.1-M489 - Mass Difference
-290.13804
EVODEX.1-E1334 - 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]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8]-[H]
EVODEX.1-C655 - 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]-[#6:37]
EVODEX.1-N811 - 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]-[#6:37](-[#6@@:31])=[#8:38]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6010
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:74])[H:75])([C:23]([O:24][H:76])([H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([C:25]([C:26]([H:83])([H:84])[H:85])([C:27]([H:86])([H:87])[H:88])[H:89])[H:90])[H:91])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:92])[H:93])=[O:36])([H:94])[H:95])([H:96])[H:97])([C:37](=[O:38])[N:39]([C@@:40]([C:41]([O:42][H:98])([H:99])[H:100])([C:43](=[O:44])[N:45]([C:46]([C:47](=[O:48])[N:49]([C@@:50]([C:51]([C:52]1:[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[C:56]([H:104]):[C:57]:1[H:105])([H:106])[H:107])([C:58]([N:59]([H:108])[H:109])=[O:60])[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:125].[H][O:61][H:126]>>[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:65])([H:66])[H:67])([C:17]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:74])[H:75])([C:23]([O:24][H:76])([H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([C:25]([C:26]([H:83])([H:84])[H:85])([C:27]([H:86])([H:87])[H:88])[H:89])[H:90])[H:91])([C:28](=[O:29])[N:30]([C@@:31]([C:32]([C:33]([C:34]([N:35]([H:92])[H:93])=[O:36])([H:94])[H:95])([H:96])[H:97])([C:37](=[O:38])[O:61][H:126])[H:117])[H:118])[H:119])([H:120])[H:121])[H:122])([H:123])([H:124])[H:125].[H][N:39]([C@@:40]([C:41]([O:42][H:98])([H:99])[H:100])([C:43](=[O:44])[N:45]([C:46]([C:47](=[O:48])[N:49]([C@@:50]([C:51]([C:52]1:[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[C:56]([H:104]):[C:57]:1[H:105])([H:106])[H:107])([C:58]([N:59]([H:108])[H:109])=[O:60])[H:110])[H:111])([H:112])[H:113])[H:114])[H:115])[H:116]