SMIRKS
[H]N([H])[C@@:6]([C:5]([C:4]([C:2]([N:1]([H])[H:72])=[O:3])([H:70])[H:71])([H:68])[H:69])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([O:13][H:42])([H:43])[H:44])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]1:[C:20]([H:45]):[C:21]([H:46]):[C:22]([O:23][H:47]):[C:24]([H:48]):[C:25]:1[H:49])([H:50])[H:51])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]([H:55]):[C:36]:1[H:56])([H:57])[H:58])([C:37]([N:38]([H:59])[H:60])=[O:39])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67]>>[N:1]1([H:72])[C:2](=[O:3])[C:4]([H:70])([H:71])[C:5]([H:68])([H:69])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([O:13][H:42])([H:43])[H:44])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]1:[C:20]([H:45]):[C:21]([H:46]):[C:22]([O:23][H:47]):[C:24]([H:48]):[C:25]:1[H:49])([H:50])[H:51])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]([H:55]):[C:36]:1[H:56])([H:57])[H:58])([C:37]([N:38]([H:59])[H:60])=[O:39])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67]
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-R2901
[H][N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:40])[H:41])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([O:13][H:42])([H:43])[H:44])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]1:[C:20]([H:45]):[C:21]([H:46]):[C:22]([O:23][H:47]):[C:24]([H:48]):[C:25]:1[H:49])([H:50])[H:51])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]([H:55]):[C:36]:1[H:56])([H:57])[H:58])([C:37]([N:38]([H:59])[H:60])=[O:39])[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][N:7]([H:40])[H:41].[N:1]1([H:72])[C:2](=[O:3])[C:4]([H:70])([H:71])[C:5]([H:68])([H:69])[C@@:6]1([C:8](=[O:9])[N:10]([C@@:11]([C:12]([O:13][H:42])([H:43])[H:44])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([C:19]1:[C:20]([H:45]):[C:21]([H:46]):[C:22]([O:23][H:47]):[C:24]([H:48]):[C:25]:1[H:49])([H:50])[H:51])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:52]):[C:33]([H:53]):[C:34]([H:54]):[C:35]([H:55]):[C:36]:1[H:56])([H:57])[H:58])([C:37]([N:38]([H:59])[H:60])=[O:39])[H:61])[H:62])[H:63])[H:64])[H:65])[H:66])[H:67]