SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28]
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-R5202
[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28])[S:15][C@:16]1([H:29])[O:17][C@@:18]([C:19]([O:20][H:30])([H:31])[H:32])([H:33])[C@:21]([O:22][H:34])([H:35])[C@@:23]([O:24][H:36])([H:37])[C@:25]1([O:26][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H:53]>>[C@@:16]1([O:27][H:53])([H:29])[O:17][C@@:18]([C:19]([O:20][H:30])([H:31])[H:32])([H:33])[C@:21]([O:22][H:34])([H:35])[C@@:23]([O:24][H:36])([H:37])[C@:25]1([O:26][H:38])[H:39].[H][S:15][C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:50])([H:51])[H:52])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])=[N:9][O:10][S:11](=[O:12])(=[O:13])[O:14][H:28]