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

HRID 136144Notes

Reaction equation

HRID 136144 reaction equation
[Br:1][C:2]1=[C:6]([c:7]2[cH:8][c:9]([Cl:15])[c:10]([O:13][CH3:14])[cH:11][cH:12]2)[O:5][C:4]([CH3:16])([CH3:17])[C:3]1=[O:18].[C:46](=[O:47])([O-:48])[O-:49].[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]3[n:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42]3)[cH:43][cH:44]2)[O:45]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cs+:50].[Cs+:51].[OH2:59]>>[C:2]1([c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]3[n:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]4[cH:41][cH:42]3)[cH:43][cH:44]2)=[C:6]([c:7]2[cH:8][c:9]([Cl:15])[c:10]([O:13][CH3:14])[cH:11][cH:12]2)[O:5][C:4]([CH3:16])([CH3:17])[C:3]1=[O:18]

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 593547584-bromo-5-(3-chloro-4-methoxyphenyl)-2,2-dimethylfuran-3(2H)-one

Product 1

HCID 445943265-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-4-(4-(quinolin-2-ylmethoxy)phenyl)furan-3(2H)-one

Sources & evidence

ORD record
ord-87287ebf4ded41cbadbd31b869ba9317
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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