SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:86]):[C:20]([H:87]):[C:21]([O:22][H:88]):[C:23]([H:89]):[C:24]:2[H:90])([H:91])[H:92])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:93])[H:94])=[O:32])([H:95])[H:96])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:97])[H:98])=[O:41])([H:99])[H:100])([H:101])[H:102])([N:42]([C:43](=[O:44])[C@:45]([C:46]([O:47][H:103])([H:104])[H:105])([N:48]([C:49](=[O:50])[C@@:51]([N:52]([H:106])[H:107])([C:53]([C:54]([H:108])([H:109])[H:110])([C:55]([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])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]>>[H]O[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:86]):[C:20]([H:87]):[C:21]([O:22][H:88]):[C:23]([H:89]):[C:24]:1[H:90])([H:91])[H:92])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:93])[H:94])=[O:32])([H:95])[H:96])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:97])[H:98])=[O:41])([H:99])[H:100])([H:101])[H:102])([N:42]([C:43](=[O:44])[C@:45]([C:46]([O:47][H:103])([H:104])[H:105])([N:48]([C:49](=[O:50])[C@@:51]([N:52]([H:106])[H:107])([C:53]([C:54]([H:108])([H:109])[H:110])([C:55]([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]
Derived Operators
EVODEX.1-F511 - Elemental Balance
| O | -5 |
| C | -21 |
| N | -5 |
| H | -35 |
EVODEX.1-M484 - Mass Difference
-437.26405
EVODEX.1-E1329 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8]-[H]
EVODEX.1-C660 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:14]
EVODEX.1-N817 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:14](=[#8:15])-[#6@:16]
EVODEX.1-Em53 - Reaction Operator Em
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
EVODEX.1-Nm60 - Reaction Operator Nm
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
Source Full Reactions
EVODEX.1-R6054
[C:1]([C:2]([C@:3]([C:4]([H:76])([H:77])[H:78])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:79])[C:10]([H:80])([H:81])[C:11]([H:82])([H:83])[C:12]([H:84])([H:85])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:86]):[C:20]([H:87]):[C:21]([O:22][H:88]):[C:23]([H:89]):[C:24]:1[H:90])([H:91])[H:92])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:93])[H:94])=[O:32])([H:95])[H:96])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:97])[H:98])=[O:41])([H:99])[H:100])([H:101])[H:102])([N:42]([C:43](=[O:44])[C@:45]([C:46]([O:47][H:103])([H:104])[H:105])([N:48]([C:49](=[O:50])[C@@:51]([N:52]([H:106])[H:107])([C:53]([C:54]([H:108])([H:109])[H:110])([C:55]([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])([C:56](=[O:57])[N:58]([C@:59]([C:60](=[O:61])[N:62]([C@@:63]([C:64]([C:65]([C:66]([N:67]([H:125])[H:126])=[O:68])([H:127])[H:128])([H:129])[H:130])([C:69](=[O:70])[O:71][H:131])[H:132])[H:133])([C:72]([C:73]([H:134])([H:135])[H:136])([C:74]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])[H:144])([H:145])[H:146])([H:147])([H:148])[H:149].[H][O:75][H:150]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:86]):[C:20]([H:87]):[C:21]([O:22][H:88]):[C:23]([H:89]):[C:24]:1[H:90])([H:91])[H:92])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:93])[H:94])=[O:32])([H:95])[H:96])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]([C:39]([N:40]([H:97])[H:98])=[O:41])([H:99])[H:100])([H:101])[H:102])([N:42]([C:43](=[O:44])[C@:45]([C:46]([O:47][H:103])([H:104])[H:105])([N:48]([C:49](=[O:50])[C@@:51]([N:52]([H:106])[H:107])([C:53]([C:54]([H:108])([H:109])[H:110])([C:55]([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])[O:75][H:150].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:147])([H:148])[H:149])([H:145])[H:146])([C:4]([H:76])([H:77])[H:78])[H:144])([C:56](=[O:57])[N:58]([C@:59]([C:60](=[O:61])[N:62]([C@@:63]([C:64]([C:65]([C:66]([N:67]([H:125])[H:126])=[O:68])([H:127])[H:128])([H:129])[H:130])([C:69](=[O:70])[O:71][H:131])[H:132])[H:133])([C:72]([C:73]([H:134])([H:135])[H:136])([C:74]([H:137])([H:138])[H:139])[H:140])[H:141])[H:142])[H:143])[H:124])=[O:8])([H:79])[C:10]([H:80])([H:81])[C:11]([H:82])([H:83])[C:12]1([H:84])[H:85]