Dimethyl Sulfoxide → HCID 178481105, compound
Reaction equation
[C:1]([O-:2])(=[O:3])[O-:4].[CH3:53][S:54](=[O:55])[CH3:56].[Cl:9][c:10]1[c:11]([CH2:12][n:13]2[c:14]([N:28]3[CH2:29][CH:30]([NH:34][C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:31][CH2:32][CH2:33]3)[c:15]([C:26]#[N:27])[c:16]3[n:17][c:18]([C:24]#[N:25])[n:19]([CH3:23])[c:20](=[O:22])[c:21]23)[cH:42][c:43]([F:46])[cH:44][cH:45]1.[K+:5].[K+:6].[Na+:51].[Na+:52].[OH2:57].[OH:7][OH:8].[S:47]([O-:48])([O-:49])=[O:50]>>[O:2]=[C:24]([c:18]1[n:17][c:16]2[c:15]([C:26]#[N:27])[c:14]([N:28]3[CH2:29][CH:30]([NH:34][C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:31][CH2:32][CH2:33]3)[n:13]([CH2:12][c:11]3[c:10]([Cl:9])[cH:45][cH:44][c:43]([F:46])[cH:42]3)[c:21]2[c:20](=[O:22])[n:19]1[CH3:23])[NH2:25]Participants
9
Sources & evidence
- ORD record
- ord-c93fa57ca4964bb8aee51bff89bee780
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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