1,4-Dioxane → HCID 18376089, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[s:25][cH:26][cH:27][n:28]3)[cH:22][cH:23]2)[S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:12][cH:13][cH:14]1)=[O:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[O:5]=[C:6]([CH2:7][O:8][c:9]1[cH:10][c:11]([CH2:15][N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[s:25][cH:26][cH:27][n:28]3)[cH:22][cH:23]2)[S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:12][cH:13][cH:14]1)[OH:39]Participants
3
Sources & evidence
- ORD record
- ord-96551c3daec64574bb161b08c2234a0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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