1,4-Dioxane → HCID 22058622, compound
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[Cl:1][c:2]1[n:3][c:4]([CH3:23])[n:5]([CH2:9][c:10]2[c:11]([Cl:22])[cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:14][cH:15]2)[c:6]1[CH2:7][OH:8].[c:24]1([CH3:36])[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[N:33]=[C:34]=[O:35])[cH:28][cH:29]1>>[Cl:1][c:2]1[n:3][c:4]([CH3:23])[n:5]([CH2:9][c:10]2[c:11]([Cl:22])[cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:14][cH:15]2)[c:6]1[CH2:7][O:8][C:34]([NH:33][S:30]([c:27]1[cH:26][cH:25][c:24]([CH3:36])[cH:29][cH:28]1)(=[O:31])=[O:32])=[O:35]Participants
4
Sources & evidence
- ORD record
- ord-24d8936776bd42fbb41295c7388d23ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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