SMIRKS
[H]OC(=O)C([H])(N([H])[C:4]([C:3]([S:2][C:1]([H:31])([H:32])[H:33])([H:29])[H:30])=[O:5])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H]O[C:4]([C:3]([S:2][C:1]([H:31])([H:32])[H:33])([H:29])[H:30])=[O:5]
Derived Operators
EVODEX.1-F197 - Elemental Balance
| O | -1 |
| C | -9 |
| N | -1 |
| H | -9 |
EVODEX.1-M177 - Mass Difference
-147.06847
EVODEX.1-E898 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#8](-[#6:8](-[#6:7])=[#8:9])-[H]
EVODEX.1-C615 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N770 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6:7])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
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-R6275
[C:1]([S:2][C:3]([C:4](=[O:5])[N:6]([C:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:18][H:34]>>[C:1]([S:2][C:3]([C:4](=[O:5])[O:18][H:34])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:6]([C:7]([C:8]([C:9]1:[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]