Potassium Cation → (3-amino-2,6-difluoro-phenyl)-[5-(2-methoxy-pyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-methanone

HRID 1221464Notes

Reaction equation

HRID 1221464 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:22][O:23][c:24]1[n:25][cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][n:29]1.[CH3:40][C:41]#[N:42].[K+:37].[K+:38].[NH2:1][c:2]1[c:3]([F:21])[c:4]([C:9](=[O:10])[c:11]2[cH:12][nH:13][c:14]3[n:15][cH:16][c:17]([I:20])[cH:18][c:19]23)[c:5]([F:8])[cH:6][cH:7]1.[OH2:39]>>[NH2:1][c:2]1[c:3]([F:21])[c:4]([C:9](=[O:10])[c:11]2[cH:12][nH:13][c:14]3[n:15][cH:16][c:17](-[c:27]4[cH:26][n:25][c:24]([O:23][CH3:22])[n:29][cH:28]4)[cH:18][c:19]23)[c:5]([F:8])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 27367782-Methoxypyrimidine-5-boronic acidHCID 58368852HCID 58368852, compound

Product 1

HCID 59569599(3-amino-2,6-difluoro-phenyl)-[5-(2-methoxy-pyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-methanone

Sources & evidence

ORD record
ord-69fac6c9eba942519ef655f9d0c4ccf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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