SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:33]([C@@:30]([N:29]([C:27]([C@:5]([C@:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])([C:4]([H:57])([H:58])[H:59])[H:119])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([H:60])([H:61])[H:62])([C:13]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:14]([C:15](=[O:16])[C@:17]([C:18]([C:19]([C:20]([H:69])([H:70])[H:71])([C:21]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:22]([C:23](=[O:24])[C:25]([N:26]([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:118])=[O:28])[H:117])([C:31]([O:32][H:87])([H:88])[H:89])[H:116])=[O:34])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:33]([C@@:30]([N:29]([C:27]([C@:5]([C@:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])([C:4]([H:57])([H:58])[H:59])[H:119])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([H:60])([H:61])[H:62])([C:13]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:14]([C:15](=[O:16])[C@:17]([C:18]([C:19]([C:20]([H:69])([H:70])[H:71])([C:21]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:22]([C:23](=[O:24])[C:25]([N:26]([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:118])=[O:28])[H:117])([C:31]([O:32][H:87])([H:88])[H:89])[H:116])=[O:34]
Derived Operators
EVODEX.1-F500 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -3 |
| H | -25 |
EVODEX.1-M473 - Mass Difference
-283.18975
EVODEX.1-E1318 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8]-[H]
EVODEX.1-C648 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33]
EVODEX.1-N803 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33](-[#6@@:30])=[#8:34])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33](-[#6@@:30])=[#8:34]
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-R5931
[C:1]([C:2]([C@:3]([C:4]([H:57])([H:58])[H:59])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([H:60])([H:61])[H:62])([C:13]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:14]([C:15](=[O:16])[C@:17]([C:18]([C:19]([C:20]([H:69])([H:70])[H:71])([C:21]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:22]([C:23](=[O:24])[C:25]([N:26]([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([O:32][H:87])([H:88])[H:89])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([C:38]([C:39]([H:90])([H:91])[H:92])([C:40]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([C:41](=[O:42])[N:43]([C:44]([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]([C:51]([H:99])([H:100])[H:101])([C:52]([H:102])([H:103])[H:104])[H:105])([H:106])[H:107])([C:53](=[O:54])[O:55][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:121])([H:122])([H:123])[H:124].[H][O:56][H:125]>>[C:1]([C:2]([C@:3]([C:4]([H:57])([H:58])[H:59])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([H:60])([H:61])[H:62])([C:13]([H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([N:14]([C:15](=[O:16])[C@:17]([C:18]([C:19]([C:20]([H:69])([H:70])[H:71])([C:21]([H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([N:22]([C:23](=[O:24])[C:25]([N:26]([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([O:32][H:87])([H:88])[H:89])([C:33](=[O:34])[O:56][H:125])[H:116])[H:117])[H:118])[H:119])([H:120])[H:121])([H:122])([H:123])[H:124].[H][N:35]([C@@:36]([C:37]([C:38]([C:39]([H:90])([H:91])[H:92])([C:40]([H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([C:41](=[O:42])[N:43]([C:44]([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]([C:51]([H:99])([H:100])[H:101])([C:52]([H:102])([H:103])[H:104])[H:105])([H:106])[H:107])([C:53](=[O:54])[O:55][H:108])[H:109])[H:110])([H:111])[H:112])[H:113])[H:114])[H:115]