SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])([H:83])[H:84]>>[H]OC([H])([H])[C@]([H])(N([H])[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:82])([H:83])[H:84])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])=[O:9])[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:10][H:69]
Derived Operators
EVODEX.1-F350 - Elemental Balance
| C | 18 |
| O | 2 |
| N | 1 |
| H | 37 |
EVODEX.1-M151 - Mass Difference
299.28261000000003
EVODEX.1-E1140 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#8:20]-[H:42]>>[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@](-[#6@@](-[#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])(-[#8]-[H])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H].[#8:20](-[H:42])-[H]
EVODEX.1-C692 - Reaction Operator C
[#6:20]-[#8:22]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20])-[#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]-[#8:22]
EVODEX.1-N856 - Reaction Operator N
[#6:19]-[#6:20](=[#8:21])-[#8:22]-[H:44]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:20](-[#6:19])=[#8:21])-[#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]-[#8:22]-[H:44]
EVODEX.1-Em71 - Reaction Operator Em
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
EVODEX.1-Nm85 - Reaction Operator Nm
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
Source Full Reactions
EVODEX.1-R6325
[H][N:29]([C@:28]([C@@:26]([C:25](=[C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([H:66])([H:67])[H:68])([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:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])[H:41])[H:40])([O:27][H:32])[H:39])([C:30]([O:31][H:35])([H:36])[H:37])[H:38])[H:33].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])([H:83])[H:84]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[N:29]([C@:28]([C@@:26]([C:25](=[C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([H:66])([H:67])[H:68])([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:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])[H:41])[H:40])([O:27][H:32])[H:39])([C:30]([O:31][H:35])([H:36])[H:37])[H:38])[H:33])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])([H:83])[H:84].[H][O:10][H:69]