SMIRKS
[O:3]=[C:4]([C:5]([C:6]1:[C:7]([H:28]):[C:8]([H:29]):[C:9]([H:30]):[C:10]([H:31]):[C:11]:1[H:32])([H:33])[H:34])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])[H:43])[H:44]>>[H]C([H])([H])O[C:4](=[O:3])[C:5]([C:6]1:[C:7]([H:28]):[C:8]([H:29]):[C:9]([H:30]):[C:10]([H:31]):[C:11]:1[H:32])([H:33])[H:34].[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])[H:43])[H:44]
Derived Operators
EVODEX.1-F348 - Elemental Balance
| O | 1 |
| C | 1 |
| H | 4 |
EVODEX.1-M353 - Mass Difference
32.02622
EVODEX.1-E1138 - Reaction Operator E
[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8]-[#6](-[H])(-[H])-[H].[#6:2]-[#7:3](-[H:20])-[H]
EVODEX.1-N1144 - Reaction Operator N
[#8:3]=[#6:4](-[#6:5])-[#7:12](-[#6@@:13])-[H:44]>>[H]-[#6](-[H])(-[H])-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:44]
EVODEX.1-Em70 - Reaction Operator Em
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
EVODEX.1-Nm84 - Reaction Operator Nm
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
Source Full Reactions
EVODEX.1-R6205
[H][O:2][C:1]([H:25])([H:26])[H:27].[O:3]=[C:4]([C:5]([C:6]1:[C:7]([H:28]):[C:8]([H:29]):[C:9]([H:30]):[C:10]([H:31]):[C:11]:1[H:32])([H:33])[H:34])[N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])[H:43])[H:44]>>[C:1]([O:2][C:4](=[O:3])[C:5]([C:6]1:[C:7]([H:28]):[C:8]([H:29]):[C:9]([H:30]):[C:10]([H:31]):[C:11]:1[H:32])([H:33])[H:34])([H:25])([H:26])[H:27].[H][N:12]([C@@:13]([C:14]([C:15]1:[C:16]([H:35]):[C:17]([H:36]):[C:18]([H:37]):[C:19]([H:38]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])[H:43])[H:44]