Potassium Cation → (4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(4'-dimethylamino-biphenyl-3-yl)methanone

HRID 2348882Notes

Reaction equation

HRID 2348882 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:25][N:26]([c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1)[CH3:36].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[cH:9][c:10]2[C:11](=[O:12])[c:13]1[cH:14][c:15]([I:19])[cH:16][cH:17][cH:18]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[OH2:49].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[cH:9][c:10]2[C:11](=[O:12])[c:13]1[cH:14][c:15](-[c:30]2[cH:29][cH:28][c:27]([N:26]([CH3:25])[CH3:36])[cH:32][cH:31]2)[cH:16][cH:17][cH:18]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343444-(Dimethylamino)phenylboronic acidHCID 86760548(4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(3-iodo-phenyl)-methanone

Product 1

HCID 86760550(4-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(4'-dimethylamino-biphenyl-3-yl)methanone

Sources & evidence

ORD record
ord-0ca018c0b39a463b8180f79e80b70096
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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