SMIRKS
[H]OC(=O)C(=O)C([H])([H])[C:6]([C:5]([C:4]([N:3]([C:2](=[O:1])[O:14][C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38])[H:31])([H:29])[H:30])([H:27])[H:28])([O:7][H])[H:26]>>[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6](=[O:7])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[O:14][C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38]
Derived Operators
EVODEX.1-F165 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -4 |
EVODEX.1-M175 - Mass Difference
-88.01602
EVODEX.1-E564 - Reaction Operator E
[#6:2]-[#6:4](-[#8:5]-[H])(-[#6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H:19]>>[#6:2]-[#6:4](=[#8:5])-[H:19]
EVODEX.1-C727 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]
EVODEX.1-N931 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6](-[H])(-[H])-[#6:14](-[#6@:12])(-[#8:15]-[H])-[H:35]>>[#6:14](-[#6@:12])(=[#8:15])-[H:35]
EVODEX.1-Em739 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
EVODEX.1-Nm668 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:14](-[#6:12])-[#8:15]-[H]>>[#6:12]-[#6:14]=[#8:15]
Source Full Reactions
EVODEX.1-R6956
[H][O:7][C:6]([C:5]([C:4]([N:3]([C:2](=[O:1])[O:14][C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38])[H:31])([H:29])[H:30])([H:27])[H:28])([C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:23])([H:24])[H:25])[H:26]>>[H][C:8]([C:9](=[O:10])[C:11](=[O:12])[O:13][H:23])([H:24])[H:25].[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6](=[O:7])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])[O:14][C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38]