1,4-Dioxane → HCID 58397933, compound
Reaction equation
[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:28][c:29]1[n:30][cH:31][n:32][c:33]([CH3:35])[cH:34]1.[F:1][C:2]1([F:27])[CH2:3][NH:4][CH2:5][CH2:6][CH:7]1[NH:8][c:9]1[n:10][n:11]2[c:12]([c:13](-[c:17]3[c:18]([F:25])[c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15][cH:16]2)[n:26]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[F:1][C:2]1([F:27])[CH2:3][N:4]([c:29]2[n:30][cH:31][n:32][c:33]([CH3:35])[cH:34]2)[CH2:5][CH2:6][CH:7]1[NH:8][c:9]1[n:10][n:11]2[c:12]([c:13](-[c:17]3[c:18]([F:25])[c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15][cH:16]2)[n:26]1Participants
5
Sources & evidence
- ORD record
- ord-a610d0a2533e4ed8a6dac7e6eae1d67b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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