Water → 5-(4-methoxyphenyl)-2,2-dimethyl-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

HRID 2151941Notes

Reaction equation

HRID 2151941 reaction equation
[Br:1][C:2]1=[C:6]([c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[O:5][C:4]([CH3:15])([CH3:16])[C:3]1=[O:17].[C:45](=[O:46])([O-:47])[O-:48].[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][cH:28][c:29]([O:30][CH2:31][c:32]3[n:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]4[cH:40][cH:41]3)[cH:42][cH:43]2)[O:44]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cs+:49].[Cs+:50].[OH2:58]>>[C:2]1([c:26]2[cH:27][cH:28][c:29]([O:30][CH2:31][c:32]3[n:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]4[cH:40][cH:41]3)[cH:42][cH:43]2)=[C:6]([c:7]2[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2)[O:5][C:4]([CH3:15])([CH3:16])[C:3]1=[O:17]

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 583680032-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)quinolineHCID 593547994-bromo-5-(4-methoxyphenyl)-2,2-dimethylfuran-3(2H)-one

Product 1

HCID 445944685-(4-methoxyphenyl)-2,2-dimethyl-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

Sources & evidence

ORD record
ord-0280093947e84785a41e84d4a26e7ef8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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