SMIRKS
[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])C(=O)N([H])[H])[N:7]([H:23])[H:24].O=[C:14]([C:12](=[O:11])[O:13][H:33])[C:16]([C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([H:39])[H:40]>>[H][C@@:14]([N:7]([H:23])[H:24])([C:12](=[O:11])[O:13][H:33])[C:16]([C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([H:39])[H:40]
Derived Operators
EVODEX.1-F242 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -7 |
EVODEX.1-M299 - Mass Difference
-145.03751
EVODEX.1-E966 - Reaction Operator E
[#6:4]-[#6:5](=[#8])-[#6:7]=[#8:8].[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7:19](-[H:34])-[H:35])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])(-[#7:19](-[H:34])-[H:35])-[H]
EVODEX.1-C433 - Reaction Operator C
[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:16]>>[H]-[#6@:5]-[#7:16]
EVODEX.1-N525 - Reaction Operator N
[#8]=[#6:5](-[#6@:3])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:16](-[H:30])-[H:31]>>[H]-[#6@:5](-[#6@:3])(-[#6:7])-[#7:16](-[H:30])-[H:31]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3551
[H][C@@:6]([C:5]([C:4]([C:2]([N:1]([H:31])[H:32])=[O:3])([H:29])[H:30])([H:27])[H:28])([N:7]([H:23])[H:24])[C:8](=[O:9])[O:10][H:25].[O:11]=[C:12]([O:13][H:33])[C:14](=[O:15])[C:16]([C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([H:39])[H:40]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:25])=[O:15])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[H][C@@:14]([N:7]([H:23])[H:24])([C:12](=[O:11])[O:13][H:33])[C:16]([C:17]1:[C:18]([H:34]):[C:19]([H:35]):[C:20]([H:36]):[C:21]([H:37]):[C:22]:1[H:38])([H:39])[H:40]