1,4-Dioxane → HCID 54362269, compound
Reaction equation
[CH3:1][C:2]([CH:3]=[CH:4][CH:5]=[C:6]([CH3:7])[CH:8]=[CH:9][c:10]1[c:11]([CH3:12])[cH:13][c:14]([O:15][C:16]([F:17])([F:18])[F:19])[c:20]([CH3:21])[c:22]1[CH3:23])=[CH:24][C:25]([OH:26])=[O:27].[CH3:28][C:29](=[CH:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH:36]=[CH:37][CH:38]=[C:39]([CH:40]=[CH:41][c:42]1[c:43]([Cl:55])[c:44]([CH3:54])[c:45]([O:49][C:50]([F:51])([F:52])[F:53])[cH:46][c:47]1[Cl:48])[CH3:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1>>[CH3:28][C:29](=[CH:30][C:31](=[O:32])[OH:33])[CH:36]=[CH:37][CH:38]=[C:39]([CH:40]=[CH:41][c:42]1[c:43]([Cl:55])[c:44]([CH3:54])[c:45]([O:49][C:50]([F:51])([F:52])[F:53])[cH:46][c:47]1[Cl:48])[CH3:56]Participants
4
Sources & evidence
- ORD record
- ord-d7ae1db57b734fc9a40c1c91bd8d0456
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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