1,4-Dioxane → HCID 58196451, compound
Reaction equation
[CH:13]([CH3:14])([CH3:15])[O:16][c:17]1[cH:18][cH:19][c:20]([NH2:21])[cH:22][cH:23]1.[Cl:1][c:2]1[n:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][cH:9][c:10]2[CH:11]=[O:12].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1>>[c:2]1([NH:21][c:20]2[cH:19][cH:18][c:17]([O:16][CH:13]([CH3:14])[CH3:15])[cH:23][cH:22]2)[n:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][cH:9][c:10]2[CH:11]=[O:12]Participants
4
Sources & evidence
- ORD record
- ord-995f6656275a4a5eaa9f0289901fa6a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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