Acetone → 6-Acetyl-2-amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
Reaction equation
[C:38](=[O:39])([OH:40])[O-:41].[CH3:29][C:30](=[O:31])[CH3:32].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([C:24](=[CH2:25])[O:26][CH2:27][CH3:28])[n:23]1.[Na+:42].[OH2:49].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([C:24]([CH3:25])=[O:26])[n:23]1Participants
8
Sources & evidence
- ORD record
- ord-7f3aca1b5c2244599e17ec024f656fb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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