SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@@:21]([N:22]([H:41])[H:42])([C:23]([O:24][H:43])([H:44])[H:45])[H:46])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:19](=[O:20])[C@@:21]([N:22]([H:41])[H:42])([C:23]([O:24][H:43])([H:44])[H:45])[H:46]
Derived Operators
EVODEX.1-F500 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -3 |
| H | -25 |
EVODEX.1-M473 - Mass Difference
-283.18975
EVODEX.1-E1318 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8]-[H]
EVODEX.1-C648 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33]
EVODEX.1-N803 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33](-[#6@@:30])=[#8:34])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33](-[#6@@:30])=[#8:34]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5924
[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:32])([H:33])[H:34])([C:17]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:41])[H:42])([C:23]([O:24][H:43])([H:44])[H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])[H:52])([C:25](=[O:26])[O:27][H:53])[H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[H][O:28][H:61]>>[C:19](=[O:20])([C@@:21]([N:22]([H:41])[H:42])([C:23]([O:24][H:43])([H:44])[H:45])[H:46])[O:28][H:61].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:58])([H:59])[H:60])([C:3]([H:29])([H:30])[H:31])[H:57])([H:55])[H:56])([C:25](=[O:26])[O:27][H:53])[H:54])[H:52])=[O:8])([H:50])[H:51])[H:49])=[O:12])([C:14]([C:15]([C:16]([H:32])([H:33])[H:34])([C:17]([H:35])([H:36])[H:37])[H:38])([H:39])[H:40])[H:48])[H:47]