1,4-Dioxane → HCID 178436924, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH3:51])[CH2:10][N:11]([c:15]2[n:16][cH:17][c:18]([C:21](=[O:22])[N:23]3[CH2:24][c:25]4[c:26]([nH:29][c:30](-[c:32]5[n:33][nH:34][c:35]6[cH:36][c:37](-[c:41]7[c:42]([CH2:49][CH3:50])[cH:43][c:44]([OH:48])[c:45]([F:47])[cH:46]7)[cH:38][cH:39][c:40]56)[n:31]4)[CH2:27][CH2:28]3)[n:19][cH:20]2)[CH2:12][CH:13]1[CH3:14])([CH3:5])([CH3:6])[CH3:7].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[NH:8]1[CH:9]([CH3:51])[CH2:10][N:11]([c:15]2[n:16][cH:17][c:18]([C:21](=[O:22])[N:23]3[CH2:24][c:25]4[c:26]([nH:29][c:30](-[c:32]5[n:33][nH:34][c:35]6[cH:36][c:37](-[c:41]7[c:42]([CH2:49][CH3:50])[cH:43][c:44]([OH:48])[c:45]([F:47])[cH:46]7)[cH:38][cH:39][c:40]56)[n:31]4)[CH2:27][CH2:28]3)[n:19][cH:20]2)[CH2:12][CH:13]1[CH3:14]Participants
3
Sources & evidence
- ORD record
- ord-904551bc5cca46809882cc254fd4c226
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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