Potassium Cation → 2-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4,5'-bipyrimidine

HRID 1152710Notes

Reaction equation

HRID 1152710 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[OH2:47].[n:26]1[cH:27][n:28][cH:29][c:30]([B:32]([OH:33])[OH:34])[cH:31]1>>[c:2]1(-[c:30]2[cH:29][n:28][cH:27][n:26][cH:31]2)[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 442492591-[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]-2-(difluoromethyl)-1H-benzimidazole

Product 1

HCID 498692142-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4,5'-bipyrimidine

Sources & evidence

ORD record
ord-41e45d4661e444dab2ee0a8256c911b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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