Acetate → 3-(4-Tert-butylphenyl)-5,5-dimethyl-1-[2-(5-pyrrolidin-1-ylmethylpyridin-3-ylamino)pyridin-4-ylmethyl]imidazolidine-2,4-dione

HRID 1229020Notes

Reaction equation

HRID 1229020 reaction equation
[Br:34][c:35]1[cH:36][n:37][cH:38][c:39]([CH2:41][N:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:40]1.[C:28](=[O:29])([O-:30])[O-:31].[C:53]([O-:54])(=[O:55])[CH3:56].[C:57]([O-:58])(=[O:59])[CH3:60].[Cs+:32].[Cs+:33].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:27])[N:11]([c:17]3[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]3)[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd+2:61]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:27])[N:11]([c:17]3[cH:18][cH:19][c:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21][cH:22]3)[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1)[c:35]1[cH:36][n:37][cH:38][c:39]([CH2:41][N:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:40]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 212559453-Bromo-5-(pyrrolidin-1-ylmethyl)pyridineHCID 576260021-[(2-Aminopyridin-4-yl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione

Product 1

HCID 671964313-(4-Tert-butylphenyl)-5,5-dimethyl-1-[2-(5-pyrrolidin-1-ylmethylpyridin-3-ylamino)pyridin-4-ylmethyl]imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-16adb7b3fb224792a7e27415b678f2ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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