1,4-Dioxane → HCID 68857906, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([s:13][c:14](-[c:16]3[n:17][c:18]([Cl:23])[n:19][cH:20][c:21]3[CH3:22])[cH:15]2)[cH:24]1)=[O:25].[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[NH2:26][CH2:27][CH2:28][CH2:29][N:30]1[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([s:13][c:14](-[c:16]3[n:17][c:18]([NH:26][CH2:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]4)[n:19][cH:20][c:21]3[CH3:22])[cH:15]2)[cH:24]1)=[O:25]Participants
4
Sources & evidence
- ORD record
- ord-a83c514de55248daad0a99dc58f6bb3d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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