Acetate → 3-(4-Tert-butylphenyl)-1-({2-[(2-chloropyridin-3-yl)amino]pyridin-4-yl}methyl)-5,5-dimethylimidazolidine-2,4-dione

HRID 200342Notes

Reaction equation

HRID 200342 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:49]([O-:50])(=[O:51])[CH3:52].[C:53]([O-:54])(=[O:55])[CH3:56].[Cl:29][c:30]1[n:31][cH:32][cH:33][cH:34][c:35]1[I:36].[ClH:1].[Cs+:41].[Cs+:42].[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:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd+2:57]>>[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:35]1[c:30]([Cl:29])[n:31][cH:32][cH:33][cH:34]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27357432-Chloro-3-iodopyridineHCID 576260021-[(2-Aminopyridin-4-yl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione

Product 1

HCID 576260283-(4-Tert-butylphenyl)-1-({2-[(2-chloropyridin-3-yl)amino]pyridin-4-yl}methyl)-5,5-dimethylimidazolidine-2,4-dione

Sources & evidence

ORD record
ord-6bf4060035d742aca6fe1b36a35d6af8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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