SMIRKS
[H]N([H])[C@:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:78])[H:79])=[O:3])([H:76])[H:77])([H:74])[H:75])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])[H:52])=[O:9])([C:12]([C:13]([C:14]([N:15]([H])[H:45])=[O:16])([H:47])[H:48])([H:49])[H:50])[H:51]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@:10]1([H:51])[C:12]([H:49])([H:50])[C:13]([H:47])([H:48])[C:14](=[O:16])[N:15]1[H:45])[H:52])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E623 - Reaction Operator E
([#7:8](-[#6@@:7])(-[H:19])-[H].[#7](-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34])(-[H])-[H])>>[#7:8](-[#6@@:7])(-[H:19])-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34]
EVODEX.1-C185 - Reaction Operator C
([H]-[#7](-[H])-[#6@:10].[#7:15]-[H].[#6@@:6])>>([#7:15]-[#6@:10].[#6@:6])
EVODEX.1-N1531 - Reaction Operator N
([H]-[#7](-[H])-[#6@:10](-[#6:8]-[#7:7]-[#6@@:6](-[#6:5])(-[#6:17])-[H:73])(-[#6:12])-[H:51].[#6:14]-[#7:15](-[H])-[H:45])>>[#6:5]-[#6@:6](-[#7:7]-[#6:8]-[#6@:10](-[H:51])(-[#6:12])-[#7:15](-[#6:14])-[H:45])(-[#6:17])-[H:73]
EVODEX.1-Em473 - Reaction Operator Em
([H]-[#7](-[H])-[#6:9](-[#6:7])-[#6:11].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:9](-[#6:7])-[#6:11]
EVODEX.1-Nm424 - Reaction Operator Nm
([H]-[#7](-[H])-[#6:9](-[#6:7])-[#6:11].[#6:2]-[#7:1]-[H])>>[#7:1](-[#6:2])-[#6:9](-[#6:7])-[#6:11]
Source Full Reactions
EVODEX.1-R2910
[H][N:15]([C:14]([C:13]([C:12]([C@@:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:78])[H:79])=[O:3])([H:76])[H:77])([H:74])[H:75])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])[H:52])=[O:9])([N:11]([H:43])[H:44])[H:51])([H:49])[H:50])([H:47])[H:48])=[O:16])[H:45]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@:10]1([H:51])[C:12]([H:49])([H:50])[C:13]([H:47])([H:48])[C:14](=[O:16])[N:15]1[H:45])[H:52])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:53]):[C:24]([H:54]):[C:25]([O:26][H:55]):[C:27]([H:56]):[C:28]:1[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40]([N:41]([H:67])[H:68])=[O:42])[H:69])[H:70])[H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[H][N:11]([H:43])[H:44]