SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:9]([C:8]2:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:34])([H:35])[H:36])(=[O:3])=[O:4]):[C:20]([H:33]):[C:19]:2[H:32])[H:31]):C([H]):C:1[H]>>[H][N:9]([C:8]1:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:34])([H:35])[H:36])(=[O:3])=[O:4]):[C:20]([H:33]):[C:19]:1[H:32])[H:31]
Derived Operators
EVODEX.1-F226 - Elemental Balance
| O | -1 |
| C | -8 |
| H | -6 |
EVODEX.1-M289 - Mass Difference
-118.04188
EVODEX.1-E943 - Reaction Operator E
[#6:6]-[#7:7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]>>[#6:6]-[#7:7](-[H:28])-[H]
EVODEX.1-C681 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11]
EVODEX.1-N839 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11](-[#6:12])-[H:32]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11](-[#6:12])-[H:32]
Source Full Reactions
EVODEX.1-R6198
[C:1]([S:2](=[O:3])(=[O:4])[C:5]1:[C:6]([H:22]):[C:7]([H:23]):[C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]2:[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]:2[H:28])([H:29])[H:30])[H:31]):[C:19]([H:32]):[C:20]:1[H:33])([H:34])([H:35])[H:36].[H][O:21][H:37]>>[C:10](=[O:11])([C:12]([C:13]1:[C:14]([H:24]):[C:15]([H:25]):[C:16]([H:26]):[C:17]([H:27]):[C:18]:1[H:28])([H:29])[H:30])[O:21][H:37].[H][N:9]([C:8]1:[C:7]([H:23]):[C:6]([H:22]):[C:5]([S:2]([C:1]([H:34])([H:35])[H:36])(=[O:3])=[O:4]):[C:20]([H:33]):[C:19]:1[H:32])[H:31]