SMIRKS
[H]N([H])[C:24]([C:23]([C:22]([C@:21]([N:20]([C:18]([C:17]([N:16]([C:14]([C@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:31])([H:32])[H:33])[H:58])([H:56])[H:57])([N:6]([C:7](=[O:8])[C@:9]1([H:34])[C:10]([H:35])([H:36])[C:11]([H:37])([H:38])[C:12]([H:39])([H:40])[N:13]1[H:41])[H:42])[H:55])=[O:15])[H:54])([H:52])[H:53])=[O:19])[H:51])([C:27](=[O:28])[O:29][H:49])[H:50])([H:47])[H:48])([H:45])[H:46])=[O:26]>>[H]O[C:24]([C:23]([C:22]([C@:21]([N:20]([C:18]([C:17]([N:16]([C:14]([C@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:31])([H:32])[H:33])[H:58])([H:56])[H:57])([N:6]([C:7](=[O:8])[C@:9]1([H:34])[C:10]([H:35])([H:36])[C:11]([H:37])([H:38])[C:12]([H:39])([H:40])[N:13]1[H:41])[H:42])[H:55])=[O:15])[H:54])([H:52])[H:53])=[O:19])[H:51])([C:27](=[O:28])[O:29][H:49])[H:50])([H:47])[H:48])([H:45])[H:46])=[O:26]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E636 - Reaction Operator E
[#6:6]-[#6:7](-[#7](-[H])-[H])=[#8:9]>>[#6:6]-[#6:7](=[#8:9])-[#8]-[H]
EVODEX.1-N568 - Reaction Operator N
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
EVODEX.1-Em555 - Reaction Operator Em
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
EVODEX.1-Nm501 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
Source Full Reactions
EVODEX.1-R6303
[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:34])[C:10]([H:35])([H:36])[C:11]([H:37])([H:38])[C:12]([H:39])([H:40])[N:13]1[H:41])[H:42])([C:14](=[O:15])[N:16]([C:17]([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24]([N:25]([H:43])[H:44])=[O:26])([H:45])[H:46])([H:47])[H:48])([C:27](=[O:28])[O:29][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][O:30][H:62]>>[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:34])[C:10]([H:35])([H:36])[C:11]([H:37])([H:38])[C:12]([H:39])([H:40])[N:13]1[H:41])[H:42])([C:14](=[O:15])[N:16]([C:17]([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24](=[O:26])[O:30][H:62])([H:45])[H:46])([H:47])[H:48])([C:27](=[O:28])[O:29][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][N:25]([H:43])[H:44]