Acetate → 3-(4-Tert-butylphenyl)-5,5-dimethyl-1-{[2-(pyrimidin-5-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

HRID 1557477Notes

Reaction equation

HRID 1557477 reaction equation
[Br:35][c:36]1[cH:37][n:38][cH:39][n:40][cH:41]1.[C:29](=[O:30])([O-:31])[O-:32].[C:48]([O-:49])(=[O:50])[CH3:51].[C:52]([O-:53])(=[O:54])[CH3:55].[ClH:1].[Cs+:33].[Cs+:34].[NH2:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][N:10]2[C:11](=[O:28])[N:12]([c:18]3[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]3)[C:13](=[O:17])[C:14]2([CH3:15])[CH3:16])[cH:8]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[Pd+2:56]>>[NH:2]([c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][N:10]2[C:11](=[O:28])[N:12]([c:18]3[cH:19][cH:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:22][cH:23]3)[C:13](=[O:17])[C:14]2([CH3:15])[CH3:16])[cH:8]1)[c:36]1[cH:37][n:38][cH:39][n:40][cH:41]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 783445-BromopyrimidineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 576260021-[(2-Aminopyridin-4-yl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione

Product 1

HCID 236303313-(4-Tert-butylphenyl)-5,5-dimethyl-1-{[2-(pyrimidin-5-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-e3968ddcf2ab41eda73bccf18e94272b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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