SMIRKS
[H]N([C@]1([H])C(=O)OC([H])([H])C1([H])[H])[C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:13])([H:31])[H:32])=[O:16]>>[H]O[C:15]([C:14]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:13])([H:31])[H:32])=[O:16]
Derived Operators
EVODEX.1-F470 - Elemental Balance
| O | -1 |
| C | -4 |
| N | -1 |
| H | -5 |
EVODEX.1-M449 - Mass Difference
-83.03715000000001
EVODEX.1-E1284 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6]-1=[#8])-[H]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[H]
EVODEX.1-C516 - Reaction Operator C
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:8]>>[H]-[#8]-[#6:8]
EVODEX.1-N652 - Reaction Operator N
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6517
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[C:14]([C:15](=[O:16])[N:17]([C@@:18]1([H:25])[C:19]([H:26])([H:27])[C:20]([H:28])([H:29])[O:21][C:22]1=[O:23])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:24][H:56]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[C:14]([C:15](=[O:16])[O:24][H:56])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][N:17]([C@@:18]1([H:25])[C:19]([H:26])([H:27])[C:20]([H:28])([H:29])[O:21][C:22]1=[O:23])[H:30]