SMIRKS
[O:11]=[C:12]([C@@:13]([O:14][H:36])([C@@:15]([O:16][H:37])([C@:17]([O:18][H:38])([C@:19]([O:20][H:39])([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])[H:43])[H:44])[H:45])[H:46])[H:47]>>[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:11].[H]N([H])[C:12]([H])([C@@:13]([O:14][H:36])([C@@:15]([O:16][H:37])([C@:17]([O:18][H:38])([C@:19]([O:20][H:39])([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])[H:43])[H:44])[H:45])[H:46])[H:47]
Derived Operators
EVODEX.1-F179 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M35 - Mass Difference
147.05317
EVODEX.1-E866 - Reaction Operator E
[#8:11]=[#6:12](-[#6:13])-[H:30]>>[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:11].[#7](-[#6:12](-[#6:13])(-[H:30])-[H])(-[H])-[H]
EVODEX.1-C87 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15].[H]-[#7](-[H])-[#6@:14]-[H]
EVODEX.1-N1100 - Reaction Operator N
[#8:11]=[#6:12](-[#6:13])-[H:30]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])(-[#6:13])-[H:30]
EVODEX.1-Em106 - Reaction Operator Em
[#8:11]=[#6:12]-[#6:13]>>[#6](=[#8])-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
EVODEX.1-Nm138 - Reaction Operator Nm
[#8:11]=[#6:12]-[#6:13]>>[#6]-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
Source Full Reactions
EVODEX.1-R3518
[H][C@:2]([N:1]([H:34])[H:35])([C:3]([C:4]([C:5](=[O:6])[O:7][H:27])([H:28])[H:29])([H:30])[H:31])[C:8](=[O:9])[O:10][H:32].[O:11]=[C:12]([C@@:13]([O:14][H:36])([C@@:15]([O:16][H:37])([C@:17]([O:18][H:38])([C@:19]([O:20][H:39])([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])[H:43])[H:44])[H:45])[H:46])[H:47]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:27])([H:28])[H:29])([H:30])[H:31])([C:8](=[O:9])[O:10][H:32])=[O:11].[H][C:12]([N:1]([H:34])[H:35])([C@@:13]([O:14][H:36])([C@@:15]([O:16][H:37])([C@:17]([O:18][H:38])([C@:19]([O:20][H:39])([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])[H:43])[H:44])[H:45])[H:46])[H:47]