1,4-Dioxane → HCID 22285037, compound
Reaction equation
[CH2:17]([C:18]#[CH:19])[NH2:20].[Cl:1][c:2]1[c:3]([Cl:16])[n:4][c:5]2[cH:6][c:7]3[c:8]([cH:9][c:10]2[n:11]1)[cH:12][cH:13][cH:14][cH:15]3.[O:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1>>[c:2]1([NH:20][CH2:17][C:18]#[CH:19])[c:3]([Cl:16])[n:4][c:5]2[cH:6][c:7]3[c:8]([cH:9][c:10]2[n:11]1)[cH:12][cH:13][cH:14][cH:15]3Participants
4
Sources & evidence
- ORD record
- ord-c22bfc70c35a4061a7bf1fabae908387
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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