SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]>>[H][S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]
Derived Operators
EVODEX.1-F310 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M85 - Mass Difference
-101.04771
EVODEX.1-E1082 - Reaction Operator E
[#7](-[#6@@](-[#6](-[#6](-[#16:9]-[#6:10])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#16:9](-[#6:10])-[H]
EVODEX.1-C405 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:9]>>[H]-[#16:9]
EVODEX.1-N486 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:9]-[#6:10]>>[H]-[#16:9]-[#6:10]
Source Full Reactions
EVODEX.1-R3369
[H][O:4][C:2]([C:1]([H:16])([H:17])[H:18])=[O:3].[C:5]([C:6]([S:7][C:8]([C:9]([C@:10]([N:11]([H:19])[H:20])([C:12](=[O:13])[O:14][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31]>>[C:1]([C:2](=[O:3])[O:4][C:8]([C:9]([C@:10]([N:11]([H:19])[H:20])([C:12](=[O:13])[O:14][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:16])([H:17])[H:18].[H][S:7][C:6]([C:5]([H:29])([H:30])[H:31])([H:27])[H:28]