SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)[N:10]([C@:11]1([H:26])[C:12](=[O:13])[N:14]2[C:15]([C:16](=[O:17])[O:18][H:27])=[C:19]([C:20]([O:21][H:28])([H:29])[H:30])[C:22]([H:31])([H:32])[S:23][C:24]12[H:33])[H:34]>>[H][N:10]([C@:11]1([H:26])[C:12](=[O:13])[N:14]2[C:15]([C:16](=[O:17])[O:18][H:27])=[C:19]([C:20]([O:21][H:28])([H:29])[H:30])[C:22]([H:31])([H:32])[S:23][C:24]12[H:33])[H:34]
Derived Operators
EVODEX.1-F230 - Elemental Balance
| O | -3 |
| C | -5 |
| H | -6 |
EVODEX.1-M135 - Mass Difference
-114.03168
EVODEX.1-E946 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](-[#6](=[#8])-[#7:10](-[#6@@:11])-[H:36])(-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#7:10](-[#6@@:11])(-[H:36])-[H]
EVODEX.1-C701 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10]>>[H]-[#7:10]
EVODEX.1-N866 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:10](-[#6:11])-[H:19]>>[H]-[#7:10](-[#6:11])-[H:19]
Source Full Reactions
EVODEX.1-R6509
[O:2]=[C:3]([O:4][H:25])[C:5]([C:6]([C:7]([C:8](=[O:9])[N:10]([C@:11]1([H:26])[C:12](=[O:13])[N:14]2[C:15]([C:16](=[O:17])[O:18][H:27])=[C:19]([C:20]([O:21][H:28])([H:29])[H:30])[C:22]([H:31])([H:32])[S:23][C:24]12[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40].[H][O:1][H:41]>>[H][N:10]([C@:11]1([H:26])[C:12](=[O:13])[N:14]2[C:15]([C:16](=[O:17])[O:18][H:27])=[C:19]([C:20]([O:21][H:28])([H:29])[H:30])[C:22]([H:31])([H:32])[S:23][C:24]12[H:33])[H:34].[O:1]([C:8]([C:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:25])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:9])[H:41]