1,4-Dioxane → HCID 68858417, compound
Reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[s:10][c:11](-[c:14]3[n:15][c:16]([Cl:21])[n:17][cH:18][c:19]3[Cl:20])[cH:12][c:13]12.[CH3:22][N:23]1[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][CH2:31][NH2:32])[CH2:27][CH2:28]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[s:10][c:11](-[c:14]3[n:15][c:16]([NH:32][CH2:31][CH2:30][CH2:29][N:26]4[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]4)[n:17][cH:18][c:19]3[Cl:20])[cH:12][c:13]12Participants
5
Sources & evidence
- ORD record
- ord-eb3fcab3b9f449b09e68105f994c168b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)