Sodium ion → 5,6-difluoro-N-(4-(3-(2-(pyridin-3-ylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine

HRID 1215158Notes

Reaction equation

HRID 1215158 reaction equation
[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[F:15][c:16]1[cH:17][c:18]2[c:19]([nH:20][c:21]([NH:23][c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[n:32][cH:33][cH:34][cH:35][c:36]4-[c:37]4[n:38][c:39]([S:43]([CH3:44])(=[O:45])=[O:46])[n:40][cH:41][cH:42]4)[cH:28][cH:29]3)[n:22]2)[cH:47][c:48]1[F:49].[H-:13].[Na+:14].[O:8]=[CH:9][N:10]([CH3:11])[CH3:12].[OH2:50].[n:1]1[cH:2][c:3]([NH2:7])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:7][c:39]2[n:38][c:37](-[c:36]3[c:31]([O:30][c:27]4[cH:26][cH:25][c:24]([NH:23][c:21]5[nH:20][c:19]6[c:18]([cH:17][c:16]([F:15])[c:48]([F:49])[cH:47]6)[n:22]5)[cH:29][cH:28]4)[n:32][cH:33][cH:34][cH:35]3)[cH:42][cH:41][n:40]2)[cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 100093-AminopyridineHCID 166653HydrideHCID 668629535,6-difluoro-N-(4-(3-(2-(methylsulfonyl)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine

Product 1

HCID 589669675,6-difluoro-N-(4-(3-(2-(pyridin-3-ylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine

Sources & evidence

ORD record
ord-3e3b84e5515f4ac0aab8e726533d5d2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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