SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:8][C:6]([C:5]([H:32])([H:33])[H:34])([C:7]([H:20])([H:21])[H:22])[H:31]>>[H][S:8][C:6]([C:5]([H:32])([H:33])[H:34])([C:7]([H:20])([H:21])[H:22])[H:31]
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-R3373
[H][O:4][C:2]([C:1]([H:17])([H:18])[H:19])=[O:3].[C:5]([C:6]([C:7]([H:20])([H:21])[H:22])([S:8][C:9]([C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31])([H:32])([H:33])[H:34]>>[C:1]([C:2](=[O:3])[O:4][C:9]([C:10]([C@:11]([N:12]([H:23])[H:24])([C:13](=[O:14])[O:15][H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:17])([H:18])[H:19].[H][S:8][C:6]([C:5]([H:32])([H:33])[H:34])([C:7]([H:20])([H:21])[H:22])[H:31]