Chloride → 4-(4-methoxyphenyl)-5,5-dimethylfuran-2(5H)-one

HRID 170155

Reaction equation

HRID 170155 reaction equation
[CH2:31]([N+:32]([CH2:33][CH3:34])([CH2:35][CH3:36])[CH2:37][CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[Cl-:30].[F-:28].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[CH:11][C:10](=[O:12])[O:9][C:8]1([CH3:13])[CH3:14])(=[O:15])=[O:16].[K+:29].[OH2:86].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:87]1([CH3:88])[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[C:7]1([c:22]2[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]2)=[CH:11][C:10](=[O:12])[O:9][C:8]1([CH3:13])[CH3:14]

Participants

11

Reactant 10

HCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 1140TolueneHCID 11776Triphenylphosphine2×HCID 17208BenzyltriethylammoniumHCID 24290Palladium ChlorideHCID 28179Fluoride IonHCID 201262(4-Methoxyphenyl)boronic acidHCID 589263482,2-Dimethyl-5-oxo-2,5-dihydrofuran-3-yl trifluoromethanesulfonate

Product 1

HCID 589262544-(4-methoxyphenyl)-5,5-dimethylfuran-2(5H)-one

Sources & evidence

ORD record
ord-302f7d16fe57471ea882d5add51bd87d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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