Acetone → N,N-diethyl-3-[4-(1-phenylethoxy)-3-prop-2-enylphenyl]but-2-enamide

HRID 177976Notes

Reaction equation

HRID 177976 reaction equation
[Br:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[CH3:22].[CH2:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[CH3:7])[cH:8][cH:9][c:10]1[OH:11])[CH:12]=[CH2:13].[CH2:31]([CH3:32])[N:33]([C:34]([CH2:35][P:36](=[O:37])([O-:38])[O:39][CH2:40][CH3:41])=[O:42])[CH2:43][CH3:44].[CH2:45]([CH:46]=[CH2:47])[c:48]1[cH:49][c:50]([C:63]([CH3:64])=[O:65])[cH:51][cH:52][c:53]1[O:54][CH:55]([CH3:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:66][C:67](=[O:68])[CH3:69].[H-:29].[K+:23].[K+:24].[Na+:30].[O-:25][C:26]([O-:27])=[O:28]>>[CH2:31]([CH3:32])[N:33]([C:34]([CH:35]=[C:63]([c:50]1[cH:49][c:48]([CH2:45][CH:46]=[CH2:47])[c:53]([O:54][CH:55]([CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:52][cH:51]1)[CH3:64])=[O:42])[CH2:43][CH3:44]

Participants

11

Reactant 10

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 11454(1-Bromoethyl)benzeneHCID 19660Carbonate IonHCID 166653HydrideHCID 2596533'-Allyl-4'-hydroxyacetophenoneHCID 106841633'-Allyl-4'-(1-phenylethoxy)-acetophenoneHCID 86757414Ethyl [2-(diethylamino)-2-oxoethyl]-phosphonate

Product 1

HCID 53935138N,N-diethyl-3-[4-(1-phenylethoxy)-3-prop-2-enylphenyl]but-2-enamide

Sources & evidence

ORD record
ord-e3c1f6a37f7f4a92b2cacb99c99b791e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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