1,4-Dioxane → HCID 178420987, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:24]([cH:25][cH:26]1)[CH:23]1[CH:14]([CH2:13][CH2:12]2)[CH:15]2[CH2:16][CH2:17][CH:18]([O:27][CH2:28][CH2:29][O:30][C:31]([CH2:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N:41]([CH2:42][CH2:43][Cl:44])[CH2:45][CH2:46][Cl:47])[cH:39][cH:40]3)=[O:48])[C:19]2([CH3:20])[CH2:21][CH2:22]1.[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1>>[OH:8][c:9]1[cH:10][c:11]2[c:24]([cH:25][cH:26]1)[CH:23]1[CH:14]([CH2:13][CH2:12]2)[CH:15]2[CH2:16][CH2:17][CH:18]([O:27][CH2:28][CH2:29][O:30][C:31]([CH2:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][c:38]([N:41]([CH2:42][CH2:43][Cl:44])[CH2:45][CH2:46][Cl:47])[cH:39][cH:40]3)=[O:48])[C:19]2([CH3:20])[CH2:21][CH2:22]1Participants
3
Sources & evidence
- ORD record
- ord-087f26f21c1b48f6ad7fc96e74b99907
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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