Acetone → 1-[5-(3-Fluorophenyl)-2-(3-isopropylaminopropyl)-2-phenyl-[1,3,4]thiadiazol-3-yl]-2-methylpropan-1-one
Reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:49](=[O:50])([O-:51])[O-:52].[CH3:28][C:29]([CH3:30])=[O:31].[CH3:46][C:47]#[N:48].[NH2:1][CH2:2][CH2:3][CH2:4][C:5]1([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[S:6][C:7]([c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)=[N:8][N:9]1[C:10]([CH:11]([CH3:12])[CH3:13])=[O:14].[Na+:45].[Na+:53].[Na+:54]>>[NH:1]([CH2:2][CH2:3][CH2:4][C:5]1([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[S:6][C:7]([c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)=[N:8][N:9]1[C:10]([CH:11]([CH3:12])[CH3:13])=[O:14])[CH:29]([CH3:28])[CH3:30]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-80ab30ffe29f4b65bf6144fb542601ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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