SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:4](=[O:5])[C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([Cl:11]):[C:12]([H:19]):[C:13]:1[H:20])([H:21])[H:22]>>[H][O:5][S:4][C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([Cl:11]):[C:12]([H:19]):[C:13]:1[H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F264 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M77 - Mass Difference
-87.03205000000001
EVODEX.1-E1000 - Reaction Operator E
[#7](-[#6@](-[#6](-[#16:4](=[#8:5])-[#6:6])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#16:4](-[#8:5]-[H])-[#6:6]
EVODEX.1-C756 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:4]=[#8:5]>>[H]-[#8:5]-[#16:4]
EVODEX.1-N963 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:4](=[#8:5])-[#6:6]>>[H]-[#8:5]-[#16:4]-[#6:6]
EVODEX.1-Em782 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#16:4](=[#8:5])-[#6:6]>>[H]-[#8:5]-[#16:4]-[#6:6]
EVODEX.1-Nm703 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#16:4](=[#8:5])-[#6:6]>>[H]-[#8:5]-[#16:4]-[#6:6]
Source Full Reactions
EVODEX.1-R7119
[H][C@:2]([N:1]([H:27])[H:28])([C:3]([S:4](=[O:5])[C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([Cl:11]):[C:12]([H:19]):[C:13]:1[H:20])([H:21])[H:22])([H:23])[H:24])[C:14](=[O:15])[O:16][H:25]>>[N:1]([C:2](=[C:3]([H:23])[H:24])[C:14](=[O:15])[O:16][H:25])([H:27])[H:28].[H][O:5][S:4][C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([Cl:11]):[C:12]([H:19]):[C:13]:1[H:20])([H:21])[H:22]