SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:11][C:4]([C:3]([C:2](=[C:1]([H:39])[H:40])[H:38])([H:36])[H:37])=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:11][C:4]([C:3]([C:2](=[C:1]([H:39])[H:40])[H:38])([H:36])[H:37])=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E520 - Reaction Operator E
[#6:1]-[#16:2]-[#6@]1(-[H])-[#8]-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H]>>[#6:1]-[#16:2]-[H]
EVODEX.1-C533 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]
EVODEX.1-N677 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18]-[#6:11])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]-[#6:11]
Source Full Reactions
EVODEX.1-R5197
[C:1](=[C:2]([C:3]([C:4](=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24])[S:11][C@:12]1([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35])([H:36])[H:37])[H:38])([H:39])[H:40].[H][O:23][H:41]>>[H][S:11][C:4]([C:3]([C:2](=[C:1]([H:39])[H:40])[H:38])([H:36])[H:37])=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24].[C:12]1([O:23][H:41])([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]