SMIRKS
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([C:4]([H:26])([H:27])[H:28])[H:35])([C:7](=[O:8])[O:9][C:10]([H:31])([H:32])[H:33])[H:34])[H:29]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([C:4]([H:26])([H:27])[H:28])[H:35])([C:7](=[O:8])[O:9][C:10]([H:31])([H:32])[H:33])[H:34])[H:29]
Derived Operators
EVODEX.1-F159 - Elemental Balance
| O | 1 |
| C | 5 |
| N | 1 |
| H | 7 |
EVODEX.1-M258 - Mass Difference
97.05281
EVODEX.1-E823 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51]
EVODEX.1-C581 - Reaction Operator C
[H]-[#7:6]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6]
EVODEX.1-N737 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:52]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:52]
Source Full Reactions
EVODEX.1-R5524
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([C:4]([H:26])([H:27])[H:28])[H:35])([C:7](=[O:8])[O:9][C:10]([H:31])([H:32])[H:33])[H:34])[H:29].[O:11]=[C:12]([O:13][C:14]([C:15]1:[C:16]([H:41]):[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]:1[H:45])([H:46])[H:47])[C@@:21]1([H:48])[C:22]([H:49])([H:50])[C:23]([H:51])([H:52])[C:24]([H:53])([H:54])[N:25]1[H:55]>>[C:1]([C:2]([C@:3]([C:4]([H:26])([H:27])[H:28])([C@:5]([N:6]([C:12](=[O:11])[C@@:21]1([H:48])[C:22]([H:49])([H:50])[C:23]([H:51])([H:52])[C:24]([H:53])([H:54])[N:25]1[H:55])[H:29])([C:7](=[O:8])[O:9][C:10]([H:31])([H:32])[H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:13][C:14]([C:15]1:[C:16]([H:41]):[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]:1[H:45])([H:46])[H:47]