SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:9](=[O:10])[C:11]([N:12]([C:13](=[O:14])[O:15][C:16]([C:17]1:[C:18]([H:27]):[C:19]([H:28]):[C:20]([H:29]):[C:21]([H:30]):[C:22]:1[H:31])([H:32])[H:33])[H:34])([H:35])[H:36].[H][O:1][H:44]>>[O:1]([C:9](=[O:10])[C:11]([N:12]([C:13](=[O:14])[O:15][C:16]([C:17]1:[C:18]([H:27]):[C:19]([H:28]):[C:20]([H:29]):[C:21]([H:30]):[C:22]:1[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])[H:44]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1034 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#7](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:1](-[H:32])-[H]>>[#8:1](-[#6:7](-[#6:6])=[#8:8])-[H:32]
EVODEX.1-C918 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:9]
EVODEX.1-N1147 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:9](=[#8:10])-[#6:11].[H]-[#8:1]-[H:47]>>[#8:1](-[#6:9](=[#8:10])-[#6:11])-[H:47]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5674
[O:2]=[C:3]([O:4][H:26])[C:5]([C:6]([C@:7]([N:8]([C:9](=[O:10])[C:11]([N:12]([C:13](=[O:14])[O:15][C:16]([C:17]1:[C:18]([H:27]):[C:19]([H:28]):[C:20]([H:29]):[C:21]([H:30]):[C:22]:1[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])[H:37])([C:23](=[O:24])[O:25][H:38])[H:39])([H:40])[H:41])([H:42])[H:43].[H][O:1][H:44]>>[H][N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:26])([H:42])[H:43])([H:40])[H:41])([C:23](=[O:24])[O:25][H:38])[H:39])[H:37].[O:1]([C:9](=[O:10])[C:11]([N:12]([C:13](=[O:14])[O:15][C:16]([C:17]1:[C:18]([H:27]):[C:19]([H:28]):[C:20]([H:29]):[C:21]([H:30]):[C:22]:1[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])[H:44]