SMIRKS
[H]N([H])[C@@:6]([C:5]([C:4]([C:2]([N:1]([H])[H:77])=[O:3])([H:75])[H:76])([H:73])[H:74])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:46])[H:47])([H:48])[H:49])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:50]):[C:24]([H:51]):[C:25]([O:26][H:52]):[C:27]([H:53]):[C:28]:1[H:54])([H:55])[H:56])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])([C:40]([N:41]([H:64])[H:65])=[O:42])[H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72]>>[N:1]1([H:77])[C:2](=[O:3])[C:4]([H:75])([H:76])[C:5]([H:73])([H:74])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:46])[H:47])([H:48])[H:49])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:50]):[C:24]([H:51]):[C:25]([O:26][H:52]):[C:27]([H:53]):[C:28]:1[H:54])([H:55])[H:56])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])([C:40]([N:41]([H:64])[H:65])=[O:42])[H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72]
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-N1202 - Reaction Operator N
([H]-[#7](-[H])-[#6@@:6](-[#6:5])(-[#6:8])-[H:67].[#6:2]-[#7:1](-[H])-[H:72])>>[#7:1](-[H:72])(-[#6:2])-[#6@:6](-[#6:5])(-[#6:8])-[H:67]
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-R2900
[H][N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:43])[H:44])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:46])[H:47])([H:48])[H:49])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:50]):[C:24]([H:51]):[C:25]([O:26][H:52]):[C:27]([H:53]):[C:28]:1[H:54])([H:55])[H:56])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])([C:40]([N:41]([H:64])[H:65])=[O:42])[H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77]>>[H][N:7]([H:43])[H:44].[N:1]1([H:77])[C:2](=[O:3])[C:4]([H:75])([H:76])[C:5]([H:73])([H:74])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:46])[H:47])([H:48])[H:49])([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]1:[C:23]([H:50]):[C:24]([H:51]):[C:25]([O:26][H:52]):[C:27]([H:53]):[C:28]:1[H:54])([H:55])[H:56])([C:29](=[O:30])[N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])([C:40]([N:41]([H:64])[H:65])=[O:42])[H:66])[H:67])[H:68])[H:69])[H:70])[H:71])[H:72]