Coumarin → N-(2-hydroxyethyl)-2-[2-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-yl]acetamide
Reaction equation
[CH:1]1([O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([CH2:24][C:25](=[O:26])[OH:27])[cH:18][c:19](=[O:23])[o:20][c:21]3[cH:22]2)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([CH2:10][OH:11])[O:9]1.[NH2:34][CH2:35][CH2:36][OH:37].[O:38]=[c:39]1[o:40][c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[cH:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1>>[CH:1]1([O:12][c:13]2[cH:14][cH:15][c:16]3[c:17]([CH2:24][C:25](=[O:27])[NH:34][CH2:35][CH2:36][OH:37])[cH:18][c:19](=[O:23])[o:20][c:21]3[cH:22]2)[CH:2]([OH:3])[CH:4]([OH:5])[CH:6]([OH:7])[CH:8]([CH2:10][OH:11])[O:9]1Participants
6
Sources & evidence
- ORD record
- ord-197111b8cf044aa0818091776ad45444
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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