1,4-Dioxane → HCID 57656515, compound
Reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([P:34]2(=[S:35])[S:36][P:38](=[S:39])([c:40]3[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][cH:47]3)[S:37]2)[cH:48][cH:49]1.[Cl:1][c:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([NH:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:19][cH:20]2)[c:4]2[c:5]([cH:11][cH:12]1)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[Cl:1][c:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([NH:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[S:37])[cH:19][cH:20]2)[c:4]2[c:5]([cH:11][cH:12]1)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2Participants
4
Sources & evidence
- ORD record
- ord-4cc020efa18a4899b431d47d6da58c32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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