SMIRKS
[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26]
Derived Operators
EVODEX.1-F223 - Elemental Balance
| O | 1 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M74 - Mass Difference
71.03715000000001
EVODEX.1-E937 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H]>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49]
EVODEX.1-C582 - Reaction Operator C
[H]-[#7:6]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6]
EVODEX.1-N738 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:47]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:47]
Source Full Reactions
EVODEX.1-R5522
[H][N:6]([C@:5]([C:3]([O:2][C:1]([H:34])([H:35])[H:36])=[O:4])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])[H:26].[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]([H:40]):[C:25]:1[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49]>>[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([C:16]([C:15]([C:14]([N:13]([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])=[O:17])[H:26])([C:7]([C:8]1:[C:9]([H:28]):[N:10]:[C:11]([H:29]):[N:12]:1[H:30])([H:31])[H:32])[H:33])([H:34])([H:35])[H:36].[H][O:18][C:19]([C:20]1:[C:21]([H:37]):[C:22]([H:38]):[C:23]([H:39]):[C:24]([H:40]):[C:25]:1[H:41])([H:42])[H:43]