1,4-Dioxane → HCID 57465584, compound
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[c:31]([NH2:32])[cH:33][cH:34][cH:35][cH:36]1.[Cl:1][c:2]1[c:3]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1>>[c:2]1([NH:32][c:31]2[c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:36][cH:35][cH:34][cH:33]2)[c:3]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
4
Sources & evidence
- ORD record
- ord-b8f9a2b1dbab4d949aa43690cdf33064
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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