1,4-Dioxane → HCID 13343503, compound
Reaction equation
[CH3:14][n:15]1[c:16](=[O:27])[o:17][c:18]2[c:19]1[cH:20][cH:21][c:22]([CH2:24][CH2:25][Br:26])[cH:23]2.[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:25][CH2:24][c:22]3[cH:21][cH:20][c:19]4[n:15]([CH3:14])[c:16](=[O:27])[o:17][c:18]4[cH:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-c60d48eedd164601be222d3cb574ec9b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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