1,4-Dioxane → HCID 178474581, compound
Reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][O:68][CH2:69]1.[O:27]=[C:28]1[O:29][CH:30]([CH2:43][NH:44][C:45]([CH3:46])=[O:47])[CH2:31][N:32]1[c:33]1[cH:34][cH:35][c:36]([Sn:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][cH:38]1.[P:1](=[O:2])([O:3][CH2:4][CH:5]1[CH2:6][C:7]([c:10]2[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]2)=[N:8][O:9]1)([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[o:48]1[cH:49][cH:50][cH:51][c:52]1[P:53]([c:54]1[o:55][cH:56][cH:57][cH:58]1)[c:59]1[o:60][cH:61][cH:62][cH:63]1>>[P:1](=[O:2])([O:3][CH2:4][CH:5]1[CH2:6][C:7]([c:10]2[cH:11][cH:12][c:13](-[c:36]3[cH:35][cH:34][c:33]([N:32]4[C:28](=[O:27])[O:29][CH:30]([CH2:43][NH:44][C:45]([CH3:46])=[O:47])[CH2:31]4)[cH:38][cH:37]3)[cH:14][cH:15]2)=[N:8][O:9]1)([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]Participants
5
Sources & evidence
- ORD record
- ord-4e5f1b54146f4091b9f3a41f2954dfd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…