1,4-Dioxane → HCID 21163157, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:40])[c:6]([CH2:37][CH2:38][CH3:39])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:31][CH2:32][CH3:33])[c:15]3[c:16]([c:17](=[O:28])[cH:18][c:19]([CH:21]=[CH:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[o:20]3)[cH:29][cH:30]2)[OH:34])[cH:35][cH:36]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:40])[c:6]([CH2:37][CH2:38][CH3:39])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[c:14]([CH2:31][CH2:32][CH3:33])[c:15]3[c:16]([c:17](=[O:28])[cH:18][c:19]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[o:20]3)[cH:29][cH:30]2)[OH:34])[cH:35][cH:36]1Participants
3
Sources & evidence
- ORD record
- ord-7de24d3786d045649e0cff496b07a58a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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