1,4-Dioxane → HCID 10112177, compound
Reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([NH:28][CH2:29][CH2:30][NH2:31])=[O:32].[CH3:1][S:2][c:3]1[n:4][n:5][c:6]([C:20]#[N:21])[c:7]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:8]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[c:3]1([NH:31][CH2:30][CH2:29][NH:28][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:32])[n:4][n:5][c:6]([C:20]#[N:21])[c:7]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:8]1Participants
4
Sources & evidence
- ORD record
- ord-d94cc33caa264572ad50427819dd9b73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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