Dimethyl Sulfoxide → HCID 59644544, compound
Reaction equation
[CH3:53][S:54]([CH3:55])=[O:56].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[n:8][n:9][c:10](-[c:18]3[n:19]([CH2:25][c:26]4[c:27]([Cl:32])[cH:28][cH:29][cH:30][cH:31]4)[c:20]([CH2:23][OH:24])[n:21][n:22]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[OH2:52].[S:48](=[O:49])(=[O:50])=[O:51].[n:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[n:8][n:9][c:10](-[c:18]3[n:19]([CH2:25][c:26]4[c:27]([Cl:32])[cH:28][cH:29][cH:30][cH:31]4)[c:20]([CH:23]=[O:24])[n:21][n:22]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41]Participants
6
Sources & evidence
- ORD record
- ord-a79c368f1edf44a9b49ac9f10b295fd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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