Acetate → 3-(4-Tert-butylphenyl)-5,5-dimethyl-1-[(2-{[3-(2-pyrrolidin-1-ylethyl)phenyl]amino}pyridin-4-yl)methyl]imidazolidine-2,4-dione

HRID 2330258Notes

Reaction equation

HRID 2330258 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([Cl:26])[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1.[C:42](=[O:43])([O-:44])[O-:45].[C:54]([O-:55])(=[O:56])[CH3:57].[C:58]([O-:59])(=[O:60])[CH3:61].[Cs+:46].[Cs+:47].[N:28]1([CH2:33][CH2:34][c:35]2[cH:36][c:37]([NH2:38])[cH:39][cH:40][cH:41]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[Pd+2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([N:11]2[C:12](=[O:27])[N:13]([CH2:19][c:20]3[cH:21][c:22]([NH:38][c:37]4[cH:36][c:35]([CH2:34][CH2:33][N:28]5[CH2:29][CH2:30][CH2:31][CH2:32]5)[cH:41][cH:40][cH:39]4)[n:23][cH:24][cH:25]3)[C:14]([CH3:17])([CH3:18])[C:15]2=[O:16])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 219550223-[2-(Pyrrolidin-1-yl)ethyl]anilineHCID 576259713-(4-Tert-butylphenyl)-1-[(2-chloropyridin-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

Product 1

HCID 576259983-(4-Tert-butylphenyl)-5,5-dimethyl-1-[(2-{[3-(2-pyrrolidin-1-ylethyl)phenyl]amino}pyridin-4-yl)methyl]imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-f200345a73c3443c86c2c7355e467c9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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