SMIRKS
[H]OC([H])([H])[C@]([H])(N([H])[C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]>>[H]O[C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44]
Derived Operators
EVODEX.1-F471 - Elemental Balance
| C | -18 |
| O | -1 |
| N | -1 |
| H | -35 |
EVODEX.1-M450 - Mass Difference
-281.27205
EVODEX.1-E1285 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6@](-[#8]-[H])(-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H]>>[#6:17]-[#6:18](=[#8:19])-[#8]-[H]
EVODEX.1-C694 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:18])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:18]
EVODEX.1-N858 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:18](-[#6:17])=[#8:19])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
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-R6315
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:30])([C@:18]([C:19]([O:20][H:31])([H:32])[H:33])([N:21]([C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])([H:75])[H:76].[H][O:29][H:77]>>[C:22](=[O:23])([C:24]([C:25]([C:26]([C:27]([C:28]([H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[O:29][H:77].[H][N:21]([C@:18]([C@@:16]([C:15](=[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])[H:49])[H:48])([O:17][H:30])[H:47])([C:19]([O:20][H:31])([H:32])[H:33])[H:46])[H:45]