SMIRKS
[H]N([H])C([H])([H])C(=O)[N:5]1[C:6]([H:30])([H:31])[C:7]([H:32])([H:33])[C:8]([H:34])([H:35])[C@:9]1([C:10](=[O:11])[N:12]1[C:13]([H:36])([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:42]):[C:22]([H:43]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])[H:47])[H:48]>>[H][N:5]1[C:6]([H:30])([H:31])[C:7]([H:32])([H:33])[C:8]([H:34])([H:35])[C@:9]1([C:10](=[O:11])[N:12]1[C:13]([H:36])([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:42]):[C:22]([H:43]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])[H:47])[H:48]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E993 - Reaction Operator E
[#6:12]-[#7:13](-[#6@:9])-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H]>>[#6:12]-[#7:13](-[#6@:9])-[H]
EVODEX.1-C133 - Reaction Operator C
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]
EVODEX.1-N750 - Reaction Operator N
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[#6@:9]>>[H]-[#7:5](-[#6:6])-[#6@:9]
EVODEX.1-Em127 - Reaction Operator Em
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
EVODEX.1-Nm161 - Reaction Operator Nm
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
Source Full Reactions
EVODEX.1-R5574
[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:30])([H:31])[C:7]([H:32])([H:33])[C:8]([H:34])([H:35])[C@:9]1([C:10](=[O:11])[N:12]1[C:13]([H:36])([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:42]):[C:22]([H:43]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52].[H][O:29][H:53]>>[N:1]([C:2]([C:3](=[O:4])[O:29][H:53])([H:49])[H:50])([H:51])[H:52].[H][N:5]1[C:6]([H:30])([H:31])[C:7]([H:32])([H:33])[C:8]([H:34])([H:35])[C@:9]1([C:10](=[O:11])[N:12]1[C:13]([H:36])([H:37])[C:14]([H:38])([H:39])[C:15]([H:40])([H:41])[C@:16]1([C:17](=[O:18])[N:19]([C:20]1:[C:21]([H:42]):[C:22]([H:43]):[C:23]([N+:24](=[O:25])[O-:26]):[C:27]([H:44]):[C:28]:1[H:45])[H:46])[H:47])[H:48]