1,4-Dioxane → HCID 86653061, compound
Reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]1[CH:38]([CH2:42][NH2:43])[CH2:39][CH2:40][CH2:41]1.[CH2:1]([CH3:2])[c:3]1[cH:4][n:5][c:6]([CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]2[s:15][c:16](-[c:20]3[n:21][c:22]([S:27]([CH3:28])=[O:29])[n:23][c:24]([CH3:26])[cH:25]3)[c:17]([CH3:19])[n:18]2)[o:7]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][n:5][c:6]([CH2:8][CH2:9][NH:10][C:11](=[O:12])[NH:13][c:14]2[s:15][c:16](-[c:20]3[n:21][c:22]([NH:43][CH2:42][CH:38]4[N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:41][CH2:40][CH2:39]4)[n:23][c:24]([CH3:26])[cH:25]3)[c:17]([CH3:19])[n:18]2)[o:7]1Participants
4
Sources & evidence
- ORD record
- ord-340338904cac4e99aa6bada5b7ba59bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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