SMIRKS
[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:36])([H:37])[H:38])=[O:4])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:35])[H:28]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:36])([H:37])[H:38])=[O:4])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:35])[H:28]
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-R5523
[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:36])([H:37])[H:38])=[O:4])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:35])[H:28].[O:13]=[C:14]([O:15][C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])([H:44])[H:45])[C@@:23]1([H:46])[C:24]([H:47])([H:48])[C:25]([H:49])([H:50])[C:26]([H:51])([H:52])[N:27]1[H:53]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:14](=[O:13])[C@@:23]1([H:46])[C:24]([H:47])([H:48])[C:25]([H:49])([H:50])[C:26]([H:51])([H:52])[N:27]1[H:53])[H:28])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][O:15][C:16]([C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])([H:44])[H:45]