SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:34])[H:35].O=[C:12]([C@@:13]([O:14][H:36])([C@@:15]1([H:37])[O:16][C:17]([O:18][H:38])([C:19](=[O:20])[O:21][H:39])[C:22]([H:40])([H:41])[C@:23]([O:24][H:42])([H:43])[C@:25]1([O:26][H:44])[H:45])[H:46])[H:47]>>[H][C:12]([N:1]([H:34])[H:35])([C@@:13]([O:14][H:36])([C@@:15]1([H:37])[O:16][C:17]([O:18][H:38])([C:19](=[O:20])[O:21][H:39])[C:22]([H:40])([H:41])[C@:23]([O:24][H:42])([H:43])[C@:25]1([O:26][H:44])[H:45])[H:46])[H:47]
Derived Operators
EVODEX.1-F59 - Elemental Balance
| C | -5 |
| O | -5 |
| H | -6 |
EVODEX.1-M57 - Mass Difference
-146.02147999999997
EVODEX.1-E593 - Reaction Operator E
[#7:1](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:25])-[H:26].[#8]=[#6:12](-[#6:13])-[H:30]>>[#7:1](-[#6:12](-[#6:13])(-[H:30])-[H])(-[H:25])-[H:26]
EVODEX.1-C66 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:14]>>[H]-[#6@:14]-[#7:1]
EVODEX.1-N510 - Reaction Operator N
[#8]=[#6:9](-[#6:8])-[H:27].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:13](-[H:39])-[H:40]>>[H]-[#6:9](-[#6:8])(-[#7:13](-[H:39])-[H:40])-[H:27]
EVODEX.1-Em107 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
EVODEX.1-Nm139 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
Source Full Reactions
EVODEX.1-R3519
[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]1([H:37])[O:16][C:17]([O:18][H:38])([C:19](=[O:20])[O:21][H:39])[C:22]([H:40])([H:41])[C@:23]([O:24][H:42])([H:43])[C@:25]1([O:26][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]1([H:37])[O:16][C:17]([O:18][H:38])([C:19](=[O:20])[O:21][H:39])[C:22]([H:40])([H:41])[C@:23]([O:24][H:42])([H:43])[C@:25]1([O:26][H:44])[H:45])[H:46])[H:47]