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:85]):[C:20]([H:86]):[C:21]([O:22][H:87]):[C:23]([H:88]):[C:24]:2[H:89])([H:90])[H:91])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:92])[H:93])=[O:37])([H:94])[H:95])([H:96])[H:97])([N:38]([C:39](=[O:40])[C@:41]([C:42]([O:43][H:98])([H:99])[H:100])([N:44]([C:45](=[O:46])[C@@:47]([N:48]([H:101])[H:102])([C:49]([C:50]([H:103])([H:104])[H:105])([C:51]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])([C:52]([C:53]([H:116])([H:117])[H:118])([C:54]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])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:74][H:152]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:85]):[C:20]([H:86]):[C:21]([O:22][H:87]):[C:23]([H:88]):[C:24]:1[H:89])([H:90])[H:91])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:92])[H:93])=[O:37])([H:94])[H:95])([H:96])[H:97])([N:38]([C:39](=[O:40])[C@:41]([C:42]([O:43][H:98])([H:99])[H:100])([N:44]([C:45](=[O:46])[C@@:47]([N:48]([H:101])[H:102])([C:49]([C:50]([H:103])([H:104])[H:105])([C:51]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])([C:52]([C:53]([H:116])([H:117])[H:118])([C:54]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[O:74][H:152]
Derived Operators
EVODEX.1-F531 - Elemental Balance
| O | -6 |
| C | -21 |
| N | -5 |
| H | -37 |
EVODEX.1-M503 - Mass Difference
-455.27461000000005
EVODEX.1-E1350 - 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].[#8:74](-[H:152])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-C663 - 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]-[#8:74]>>[#6:14]-[#8:74]
EVODEX.1-N820 - 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]-[#8:74]-[H:152]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:74]-[H:152]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6093
[C:1]([C:2]([C@:3]([C:4]([H:75])([H:76])[H:77])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:78])[C:10]([H:79])([H:80])[C:11]([H:81])([H:82])[C:12]([H:83])([H:84])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:85]):[C:20]([H:86]):[C:21]([O:22][H:87]):[C:23]([H:88]):[C:24]:1[H:89])([H:90])[H:91])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:92])[H:93])=[O:37])([H:94])[H:95])([H:96])[H:97])([N:38]([C:39](=[O:40])[C@:41]([C:42]([O:43][H:98])([H:99])[H:100])([N:44]([C:45](=[O:46])[C@@:47]([N:48]([H:101])[H:102])([C:49]([C:50]([H:103])([H:104])[H:105])([C:51]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])([C:52]([C:53]([H:116])([H:117])[H:118])([C:54]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[H:126])([C:55](=[O:56])[N:57]([C@:58]([C:59](=[O:60])[N:61]([C@@:62]([C:63]([C:64]([C:65]([N:66]([H:127])[H:128])=[O:67])([H:129])[H:130])([H:131])[H:132])([C:68](=[O:69])[O:70][H:133])[H:134])[H:135])([C:71]([C:72]([H:136])([H:137])[H:138])([C:73]([H:139])([H:140])[H:141])[H:142])[H:143])[H:144])[H:145])[H:146])([H:147])[H:148])([H:149])([H:150])[H:151].[H][O:74][H:152]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:85]):[C:20]([H:86]):[C:21]([O:22][H:87]):[C:23]([H:88]):[C:24]:1[H:89])([H:90])[H:91])([N:25]([C:26](=[O:27])[C@@:28]([N:29]([C:30](=[O:31])[C@:32]([C:33]([C:34]([C:35]([N:36]([H:92])[H:93])=[O:37])([H:94])[H:95])([H:96])[H:97])([N:38]([C:39](=[O:40])[C@:41]([C:42]([O:43][H:98])([H:99])[H:100])([N:44]([C:45](=[O:46])[C@@:47]([N:48]([H:101])[H:102])([C:49]([C:50]([H:103])([H:104])[H:105])([C:51]([H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])[H:114])[H:115])([C:52]([C:53]([H:116])([H:117])[H:118])([C:54]([H:119])([H:120])[H:121])[H:122])[H:123])[H:124])[H:125])[O:74][H:152].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:149])([H:150])[H:151])([H:147])[H:148])([C:4]([H:75])([H:76])[H:77])[H:146])([C:55](=[O:56])[N:57]([C@:58]([C:59](=[O:60])[N:61]([C@@:62]([C:63]([C:64]([C:65]([N:66]([H:127])[H:128])=[O:67])([H:129])[H:130])([H:131])[H:132])([C:68](=[O:69])[O:70][H:133])[H:134])[H:135])([C:71]([C:72]([H:136])([H:137])[H:138])([C:73]([H:139])([H:140])[H:141])[H:142])[H:143])[H:144])[H:145])[H:126])=[O:8])([H:78])[C:10]([H:79])([H:80])[C:11]([H:81])([H:82])[C:12]1([H:83])[H:84]