SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]1([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]1([H:25])[H:26])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H]O[C:7](=[O:8])[C:9]1([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]1([H:25])[H:26]
Derived Operators
EVODEX.1-F469 - Elemental Balance
| O | -1 |
| C | -5 |
| S | -1 |
| N | -1 |
| H | -9 |
EVODEX.1-M164 - Mass Difference
-131.04057
EVODEX.1-E1283 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@@](-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-C548 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N700 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6:9])=[#8:11])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6:9])=[#8:11]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6266
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]1([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]1([H:25])[H:26])[H:27])([C:14](=[O:15])[O:16][H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36].[H][O:17][H:37]>>[C:7](=[O:8])([C:9]1([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]1([H:25])[H:26])[O:17][H:37].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:34])([H:35])[H:36])([H:32])[H:33])([H:30])[H:31])([C:14](=[O:15])[O:16][H:28])[H:29])[H:27]