SMIRKS
[H]OC(=O)[C@]([H])(N([H])[C:33]([C@@:27]([N:26]([C:24]([C@:18]([N:17]([C:15]([C@@:13]([O:12][C:10]([C@:8]([O:7][C@:6]1([H:84])[C@:5]([N:4]([C:2]([C:1]([H:94])([H:95])[H:96])=[O:3])[H:93])([H:50])[C@:47]([O:48][H:91])([H:92])[O:46][C@@:43]([C:44]([O:45][H:87])([H:88])[H:89])([H:90])[C@:41]1([O:42][H:85])[H:86])([C:9]([H:51])([H:52])[H:53])[H:83])=[O:11])([C:14]([H:54])([H:55])[H:56])[H:82])=[O:16])[H:81])([C:19]([C:20]([C:21](=[O:22])[O:23][H:57])([H:58])[H:59])([H:60])[H:61])[H:80])=[O:25])[H:79])([C:28]([C:29]([C:30]([C:31]([N:32]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:78])=[O:34])C([H])([H])[H]>>[H]O[C:33]([C@@:27]([N:26]([C:24]([C@:18]([N:17]([C:15]([C@@:13]([O:12][C:10]([C@:8]([O:7][C@:6]1([H:84])[C@:5]([N:4]([C:2]([C:1]([H:94])([H:95])[H:96])=[O:3])[H:93])([H:50])[C@:47]([O:48][H:91])([H:92])[O:46][C@@:43]([C:44]([O:45][H:87])([H:88])[H:89])([H:90])[C@:41]1([O:42][H:85])[H:86])([C:9]([H:51])([H:52])[H:53])[H:83])=[O:11])([C:14]([H:54])([H:55])[H:56])[H:82])=[O:16])[H:81])([C:19]([C:20]([C:21](=[O:22])[O:23][H:57])([H:58])[H:59])([H:60])[H:61])[H:80])=[O:25])[H:79])([C:28]([C:29]([C:30]([C:31]([N:32]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:78])=[O:34]
Derived Operators
EVODEX.1-F138 - Elemental Balance
| O | -1 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M45 - Mass Difference
-71.03715000000001
EVODEX.1-E792 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C613 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N768 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6@:5])=[#8:11]
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-R5703
[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:50])[C@:6]([O:7][C@:8]([C:9]([H:51])([H:52])[H:53])([C:10](=[O:11])[O:12][C@@:13]([C:14]([H:54])([H:55])[H:56])([C:15](=[O:16])[N:17]([C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:57])([H:58])[H:59])([H:60])[H:61])([C:24](=[O:25])[N:26]([C@@:27]([C:28]([C:29]([C:30]([C:31]([N:32]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:33](=[O:34])[N:35]([C@:36]([C:37]([H:72])([H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[H:82])[H:83])([H:84])[C@@:41]([O:42][H:85])([H:86])[C@:43]([C:44]([O:45][H:87])([H:88])[H:89])([H:90])[O:46][C@@:47]1([O:48][H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][O:49][H:97]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:50])[C@:6]([O:7][C@:8]([C:9]([H:51])([H:52])[H:53])([C:10](=[O:11])[O:12][C@@:13]([C:14]([H:54])([H:55])[H:56])([C:15](=[O:16])[N:17]([C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:57])([H:58])[H:59])([H:60])[H:61])([C:24](=[O:25])[N:26]([C@@:27]([C:28]([C:29]([C:30]([C:31]([N:32]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([C:33](=[O:34])[O:49][H:97])[H:78])[H:79])[H:80])[H:81])[H:82])[H:83])([H:84])[C@@:41]([O:42][H:85])([H:86])[C@:43]([C:44]([O:45][H:87])([H:88])[H:89])([H:90])[O:46][C@@:47]1([O:48][H:91])[H:92])[H:93])([H:94])([H:95])[H:96].[H][N:35]([C@:36]([C:37]([H:72])([H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[H:76])[H:77]