SMIRKS
[H]C1:C(N([H])[C:34]([C@@:29]([N:28]([C:26]([C@:5]([C@:3]([C:2]([C:1]([H:90])([H:91])[H:92])([H:88])[H:89])([C:4]([H:53])([H:54])[H:55])[H:87])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:56])([H:57])[H:58])([H:59])[H:60])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([C:20]([C:21]([H:61])([H:62])[H:63])=[O:22])[H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:75])[H:86])=[O:27])[H:85])([C:30]([C:31](=[O:32])[O:33][H:76])([H:77])[H:78])[H:84])=[O:35]):C([H]):C2:O:C(=O):C([H]):C(C(F)(F)F):C:2:C:1[H]>>[H]O[C:34]([C@@:29]([N:28]([C:26]([C@:5]([C@:3]([C:2]([C:1]([H:90])([H:91])[H:92])([H:88])[H:89])([C:4]([H:53])([H:54])[H:55])[H:87])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:56])([H:57])[H:58])([H:59])[H:60])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([C:20]([C:21]([H:61])([H:62])[H:63])=[O:22])[H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:75])[H:86])=[O:27])[H:85])([C:30]([C:31](=[O:32])[O:33][H:76])([H:77])[H:78])[H:84])=[O:35]
Derived Operators
EVODEX.1-F479 - Elemental Balance
| O | -1 |
| C | -10 |
| N | -1 |
| F | -3 |
| H | -4 |
EVODEX.1-M458 - Mass Difference
-211.02452
EVODEX.1-E1293 - Reaction Operator E
[#6:28](-[#6@@:23])(=[#8:29])-[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H])-[H]>>[#6:28](-[#6@@:23])(=[#8:29])-[#8]-[H]
EVODEX.1-C652 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6:37]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:37]
EVODEX.1-N807 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6:37](-[#6@@:32])=[#8:38]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:37](-[#6@@:32])=[#8:38]
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-R5993
[C:1]([C:2]([C@:3]([C:4]([H:53])([H:54])[H:55])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:56])([H:57])[H:58])([H:59])[H:60])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([C:20]([C:21]([H:61])([H:62])[H:63])=[O:22])[H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:75])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31](=[O:32])[O:33][H:76])([H:77])[H:78])([C:34](=[O:35])[N:36]([C:37]1:[C:38]([H:79]):[C:39]([H:80]):[C:40]2:[C:41]([C:42]([F:43])([F:44])[F:45]):[C:46]([H:81]):[C:47](=[O:48]):[O:49]:[C:50]:2:[C:51]:1[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])([H:88])[H:89])([H:90])([H:91])[H:92].[H][O:52][H:93]>>[C:1]([C:2]([C@:3]([C:4]([H:53])([H:54])[H:55])([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:56])([H:57])[H:58])([H:59])[H:60])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([C:20]([C:21]([H:61])([H:62])[H:63])=[O:22])[H:64])([C:23]([C:24]([H:65])([H:66])[H:67])([C:25]([H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:75])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31](=[O:32])[O:33][H:76])([H:77])[H:78])([C:34](=[O:35])[O:52][H:93])[H:84])[H:85])[H:86])[H:87])([H:88])[H:89])([H:90])([H:91])[H:92].[H][N:36]([C:37]1:[C:38]([H:79]):[C:39]([H:80]):[C:40]2:[C:41]([C:42]([F:43])([F:44])[F:45]):[C:46]([H:81]):[C:47](=[O:48]):[O:49]:[C:50]:2:[C:51]:1[H:82])[H:83]