SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:6](=[O:7])[C@@:8]([N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14]1:[C:15]([H:29]):[C:16]([H:30]):[C:17]([H:31]):[O:18]:1)[H:32])[H:33])[H:34])([C:19]([C:20]([H:35])([H:36])[H:37])([C:21]([H:38])([H:39])[H:40])[H:41])[H:42])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:25][H:50]>>[C:6](=[O:7])([C@@:8]([N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14]1:[C:15]([H:29]):[C:16]([H:30]):[C:17]([H:31]):[O:18]:1)[H:32])[H:33])[H:34])([C:19]([C:20]([H:35])([H:36])[H:37])([C:21]([H:38])([H:39])[H:40])[H:41])[H:42])[O:25][H:50]
Derived Operators
EVODEX.1-F277 - Elemental Balance
| O | -2 |
| C | -5 |
| N | -1 |
| H | -11 |
EVODEX.1-M189 - Mass Difference
-117.07903
EVODEX.1-E1029 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:13](-[H:26])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8:13]-[H:26]
EVODEX.1-C595 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:2])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:12]>>[#6:2]-[#8:12]
EVODEX.1-N752 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:2](-[#6:1])=[#8:3])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:12]-[H:26]>>[#6:1]-[#6:2](=[#8:3])-[#8:12]-[H:26]
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-R5689
[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])([C@:4]([N:5]([C:6](=[O:7])[C@@:8]([N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14]1:[C:15]([H:29]):[C:16]([H:30]):[C:17]([H:31]):[O:18]:1)[H:32])[H:33])[H:34])([C:19]([C:20]([H:35])([H:36])[H:37])([C:21]([H:38])([H:39])[H:40])[H:41])[H:42])[H:43])([C:22](=[O:23])[O:24][H:44])[H:45])[H:46])([H:47])([H:48])[H:49].[H][O:25][H:50]>>[C:6](=[O:7])([C@@:8]([N:9]([C:10](=[O:11])[C:12](=[C:13]([C:14]1:[C:15]([H:29]):[C:16]([H:30]):[C:17]([H:31]):[O:18]:1)[H:32])[H:33])[H:34])([C:19]([C:20]([H:35])([H:36])[H:37])([C:21]([H:38])([H:39])[H:40])[H:41])[H:42])[O:25][H:50].[H][N:5]([C@@:4]([C:2]([C:1]([H:47])([H:48])[H:49])([C:3]([H:26])([H:27])[H:28])[H:46])([C:22](=[O:23])[O:24][H:44])[H:45])[H:43]