SMIRKS
[H]O[C:11](=[O:10])[C:13]([C:14]1:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1[H:38])([H:39])[H:40]>>[H]OC(=O)[C@@]([H])(N([H])[C:11](=[O:10])[C:13]([C:14]1:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1[H:38])([H:39])[H:40])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
Derived Operators
EVODEX.1-F162 - Elemental Balance
| O | 1 |
| C | 6 |
| N | 1 |
| H | 11 |
EVODEX.1-M119 - Mass Difference
113.08413
EVODEX.1-E829 - Reaction Operator E
[#6:17](-[#6@:15])(=[#8:18])-[#8]-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6:17](-[#6@:15])=[#8:18])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C683 - Reaction Operator C
[H]-[#8]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:16])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N841 - Reaction Operator N
[H]-[#8]-[#6:16](-[#6@:14])=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:16](-[#6@:14])=[#8:17])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6221
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:20])([H:21])[H:22])[H:29])([H:27])[H:28])([C:7](=[O:8])[O:9][H:25])[H:26])[H:23].[O:10]=[C:11]([O:12][H:33])[C:13]([C:14]1:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1[H:38])([H:39])[H:40]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C@:5]([N:6]([C:11](=[O:10])[C:13]([C:14]1:[C:15]([H:34]):[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]:1[H:38])([H:39])[H:40])[H:23])([C:7](=[O:8])[O:9][H:25])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][O:12][H:33]