SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:24])[H:25].O=[C:12]([C:13]([S:14](=[O:15])[O:16][H:26])([H:27])[H:28])[H:29]>>[H][C:12]([N:1]([H:24])[H:25])([C:13]([S:14](=[O:15])[O:16][H:26])([H:27])[H:28])[H:29]
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-R3594
[H][C@:2]([N:1]([H:24])[H:25])([C:3]([C:4]([C:5](=[O:6])[O:7][H:17])([H:18])[H:19])([H:20])[H:21])[C:8](=[O:9])[O:10][H:22].[O:11]=[C:12]([C:13]([S:14](=[O:15])[O:16][H:26])([H:27])[H:28])[H:29]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:17])([H:18])[H:19])([H:20])[H:21])([C:8](=[O:9])[O:10][H:22])=[O:11].[H][C:12]([N:1]([H:24])[H:25])([C:13]([S:14](=[O:15])[O:16][H:26])([H:27])[H:28])[H:29]