Dimethyl Sulfoxide → HCID 11239232, compound
Reaction equation
[C:36]([CH3:37])(=[O:38])[NH:39][CH:40]1[CH2:41][CH:42]([CH2:45][OH:46])[NH:43][CH2:44]1.[CH3:47][S:48](=[O:49])[CH3:50].[CH3:51][C:52]#[N:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:31])[cH:22][c:23]2-[c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35].[F:54][C:55]([F:56])([F:57])[C:58]([OH:59])=[O:60]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:43]3[CH:42]([CH2:45][OH:46])[CH2:41][CH:40]([NH:39][C:36]([CH3:37])=[O:38])[CH2:44]3)[cH:22][c:23]2-[c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]Participants
6
Sources & evidence
- ORD record
- ord-fda8d7e0a1494b39af16973c0d3c3774
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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