SMIRKS
[H]N([C@]1([H])C(=O)OC([H])([H])C1([H])[H])[C:9]([C:8]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:7])([H:25])[H:26])=[O:10]>>[H]O[C:9]([C:8]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:7])([H:25])[H:26])=[O:10]
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-R4984
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9](=[O:10])[N:11]([C@@:12]1([H:19])[C:13]([H:20])([H:21])[C:14]([H:22])([H:23])[O:15][C:16]1=[O:17])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:18][H:38]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[C:8]([C:9](=[O:10])[O:18][H:38])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][N:11]([C@@:12]1([H:19])[C:13]([H:20])([H:21])[C:14]([H:22])([H:23])[O:15][C:16]1=[O:17])[H:24]