1,4-Dioxane → HCID 59239310, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([n:12][c:13](-[c:22]3[cH:23][cH:24][c:25]([NH2:26])[cH:27][cH:28]3)[n:14][c:15]2[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[CH2:29][CH2:30]1.[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Cl:31][c:32]1[cH:33][c:34](=[O:40])[n:35]([CH3:39])[c:36](=[O:38])[nH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][c:10]2[c:11]([n:12][c:13](-[c:22]3[cH:23][cH:24][c:25]([NH:26][c:32]4[cH:33][c:34](=[O:40])[n:35]([CH3:39])[c:36](=[O:38])[nH:37]4)[cH:27][cH:28]3)[n:14][c:15]2[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[CH2:29][CH2:30]1Participants
4
Sources & evidence
- ORD record
- ord-b9a1b501c9d84ba2a086a5ddd7ed1faa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…