SMIRKS
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])OC(=O)C([H])([H])[H])O[C@@]1([H])[O:9][C:10](=[O:11])[H:31]>>[H][O:9][C:10](=[O:11])[H:31]
Derived Operators
EVODEX.1-F476 - Elemental Balance
| C | -16 |
| O | -8 |
| N | -1 |
| H | -23 |
EVODEX.1-M455 - Mass Difference
-357.14239000000003
EVODEX.1-E1290 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6@@]1(-[H])-[#6@@](-[#8:9]-[#6:10])(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])(-[H])-[H])(-[H])-[#6@](-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])(-[H])-[#6@@]-1(-[#8]-[#6](-[#6](-[H])(-[H])-[H])=[#8])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:9](-[#6:10])-[H]
EVODEX.1-C537 - Reaction Operator C
[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#8]-[#6@@]-1(-[H])-[#8:9]>>[H]-[#8:9]
EVODEX.1-N685 - Reaction Operator N
[H]-[#7](-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#8]-[#6@@]-1(-[H])-[#8:9]-[#6:10]>>[H]-[#8:9]-[#6:10]
Source Full Reactions
EVODEX.1-R5241
[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:30])[C@@:8]([O:9][C:10](=[O:11])[H:31])([H:32])[O:12][C@@:13]([C:14]([O:15][C:16]([C:17]([H:33])([H:34])[H:35])=[O:18])([H:36])[H:37])([H:38])[C@:19]([O:20][C:21]([C:22]([H:39])([H:40])[H:41])=[O:23])([H:42])[C@@:24]1([O:25][C:26]([C:27]([H:43])([H:44])[H:45])=[O:28])[H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][O:29][H:55]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([C@@:7]1([H:30])[C@:8]([O:29][H:55])([H:32])[O:12][C@@:13]([C:14]([O:15][C:16]([C:17]([H:33])([H:34])[H:35])=[O:18])([H:36])[H:37])([H:38])[C@:19]([O:20][C:21]([C:22]([H:39])([H:40])[H:41])=[O:23])([H:42])[C@@:24]1([O:25][C:26]([C:27]([H:43])([H:44])[H:45])=[O:28])[H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][O:9][C:10](=[O:11])[H:31]