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

HRID 1127248Notes

Reaction equation

HRID 1127248 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:41](=[O:42])([O-:43])[O-:44].[C:53]([O-:54])(=[O:55])[CH3:56].[C:57]([O-:58])(=[O:59])[CH3:60].[Cs+:45].[Cs+:46].[N:28]1([CH2:33][c:34]2[cH:35][cH:36][c:37]([NH2:38])[cH:39][cH:40]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd+2:61]>>[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][cH:35][c:34]([CH2:33][N:28]5[CH2:29][CH2:30][CH2:31][CH2:32]5)[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 7768524-(Pyrrolidin-1-ylmethyl)anilineHCID 576259713-(4-Tert-butylphenyl)-1-[(2-chloropyridin-4-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

Product 1

HCID 576260133-(4-Tert-butylphenyl)-5,5-dimethyl-1-[(2-{[4-(pyrrolidin-1-ylmethyl)phenyl]amino}pyridin-4-yl)methyl]imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-d8977875b24a41ab97f605abe0812906
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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