SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:54])[N:21]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([N:22]([C:23](=[O:24])[C@:25]([C:26]([C:27]([C:28]([N:29]([H:64])[H:65])=[O:30])([H:66])[H:67])([H:68])[H:69])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([H:70])([H:71])[H:72])([C:38]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:39]([C:40](=[O:41])[C:42]([N:43]([H:79])[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:54])[N:21]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([N:22]([C:23](=[O:24])[C@:25]([C:26]([C:27]([C:28]([N:29]([H:64])[H:65])=[O:30])([H:66])[H:67])([H:68])[H:69])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([H:70])([H:71])[H:72])([C:38]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:39]([C:40](=[O:41])[C:42]([N:43]([H:79])[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88]
Derived Operators
EVODEX.1-F487 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -2 |
| H | -16 |
EVODEX.1-M167 - Mass Difference
-184.12128
EVODEX.1-E1303 - Reaction Operator E
[#6:69](-[#6@@:64])(=[#8:70])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])-[H]>>[#6:69](-[#6@@:64])(=[#8:70])-[#8]-[H]
EVODEX.1-C630 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:70])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:70]
EVODEX.1-N785 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:70](-[#6@@:64])=[#8:71])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:70](-[#6@@:64])=[#8:71]
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-R5877
[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:51])([H:52])[H:53])([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:54])[N:21]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([N:22]([C:23](=[O:24])[C@:25]([C:26]([C:27]([C:28]([N:29]([H:64])[H:65])=[O:30])([H:66])[H:67])([H:68])[H:69])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([H:70])([H:71])[H:72])([C:38]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:39]([C:40](=[O:41])[C:42]([N:43]([H:79])[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])[H:91])([C:44](=[O:45])[O:46][H:92])[H:93])([H:94])[H:95])[H:96])([H:97])([H:98])[H:99].[H][O:47][H:100]>>[C:12](=[O:13])([C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:54])[N:21]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([N:22]([C:23](=[O:24])[C@:25]([C:26]([C:27]([C:28]([N:29]([H:64])[H:65])=[O:30])([H:66])[H:67])([H:68])[H:69])([N:31]([C:32](=[O:33])[C@:34]([C:35]([C:36]([C:37]([H:70])([H:71])[H:72])([C:38]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:39]([C:40](=[O:41])[C:42]([N:43]([H:79])[H:80])([H:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[O:47][H:100].[H][N:11]([C@:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:97])([H:98])[H:99])([C:3]([H:48])([H:49])[H:50])[H:96])([H:94])[H:95])([C:44](=[O:45])[O:46][H:92])[H:93])[H:91])=[O:8])([C:10]([H:51])([H:52])[H:53])[H:90])[H:89]