SMIRKS
[H]N([H])[C@:9]([C:7]([C:6]1([C:16](=[O:17])[C@@:18]([N:19]([H:41])[H:42])([C:20]([C:21]([C:22](=[O:23])[O:24][H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[C:5]([H:32])=[C:4]([C:3]([C@:2]([N:1]([H])[H:57])([C:29](=[O:30])[O:31][H:55])[H:56])([H:53])[H:54])[C:28]([H:52])=[C:27]([H:51])[C:25]1([O:26][H:49])[H:50])=[O:8])([C:11]([C:12]([C:13](=[O:14])[O:15][H:35])([H:36])[H:37])([H:38])[H:39])[H:40]>>[N:1]1([H:57])[C@@:2]([C:29](=[O:30])[O:31][H:55])([H:56])[C:3]([H:53])([H:54])[C:4]2=[C:5]([H:32])[C:6]([C:16](=[O:17])[C@@:18]([N:19]([H:41])[H:42])([C:20]([C:21]([C:22](=[O:23])[O:24][H:43])([H:44])[H:45])([H:46])[H:47])[H:48])([C:7](=[O:8])[C@@:9]1([C:11]([C:12]([C:13](=[O:14])[O:15][H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[C:25]([O:26][H:49])([H:50])[C:27]([H:51])=[C:28]2[H:52]
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-C1453 - Reaction Operator C
([H]-[#7](-[H])-[#6@:9].[#7:1](-[#6@:2])-[H])>>[#7:1](-[#6@@:2])-[#6@@:9]
EVODEX.1-N1861 - Reaction Operator N
([H]-[#7](-[H])-[#6@:9](-[#6:7])(-[#6:11])-[H:40].[#6:3]-[#6@:2](-[#7:1](-[H])-[H:57])(-[#6:29])-[H:56])>>[#7:1](-[H:57])(-[#6@@:2](-[#6:29])(-[H:56])-[#6:3])-[#6@:9](-[#6:7])(-[#6:11])-[H:40]
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-R7111
[H][N:1]([C@@:2]([C:3]([C:4]1=[C:5]([H:32])[C:6]([C:7](=[O:8])[C@@:9]([N:10]([H:33])[H:34])([C:11]([C:12]([C:13](=[O:14])[O:15][H:35])([H:36])[H:37])([H:38])[H:39])[H:40])([C:16](=[O:17])[C@@:18]([N:19]([H:41])[H:42])([C:20]([C:21]([C:22](=[O:23])[O:24][H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[C:25]([O:26][H:49])([H:50])[C:27]([H:51])=[C:28]1[H:52])([H:53])[H:54])([C:29](=[O:30])[O:31][H:55])[H:56])[H:57]>>[H][N:10]([H:33])[H:34].[N:1]1([H:57])[C@@:2]([C:29](=[O:30])[O:31][H:55])([H:56])[C:3]([H:53])([H:54])[C:4]2=[C:5]([H:32])[C:6]([C:16](=[O:17])[C@@:18]([N:19]([H:41])[H:42])([C:20]([C:21]([C:22](=[O:23])[O:24][H:43])([H:44])[H:45])([H:46])[H:47])[H:48])([C:7](=[O:8])[C@@:9]1([C:11]([C:12]([C:13](=[O:14])[O:15][H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[C:25]([O:26][H:49])([H:50])[C:27]([H:51])=[C:28]2[H:52]