Dimethylformamide → 3-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1(2H)-one

HRID 2337345Notes

Reaction equation

HRID 2337345 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([CH3:23])[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([OH:21])[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:35](=[O:36])([O-:37])[O-:38].[Cs+:39].[Cs+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[c:24]1([CH2:30][CH2:31][CH2:32][CH2:33][I:34])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([CH3:23])[c:7](=[O:22])[c:8]2[cH:9][cH:10][c:11]([O:21][CH2:33][CH2:32][CH2:31][CH2:30][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:12][c:13]2[c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 112782303-tert-butyl-6-hydroxy-2-methyl-4-phenylisoquinolin-1(2H)-oneHCID 12709818(4-Iodobutyl)benzene

Product 1

HCID 113166023-tert-butyl-2-methyl-4-phenyl-6-(4-phenylbutoxy)isoquinolin-1(2H)-one

Sources & evidence

ORD record
ord-afea02aa0d594dde879fbe2a915cd37c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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