Sodium ion → 4-[5-Chloro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-2-methoxy-benzonitrile

HRID 1152945Notes

Reaction equation

HRID 1152945 reaction equation
[Br:20][c:21]1[cH:22][n:23][cH:24][c:25]([Cl:30])[c:26]1[CH:27]([CH3:28])[OH:29].[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][O:2][c:3]1[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:10]1.[Cl:31][CH2:32][Cl:33].[Na+:38].[Na+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH3:1][O:2][c:3]1[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9](-[c:21]2[cH:22][n:23][cH:24][c:25]([Cl:30])[c:26]2[CH:27]([CH3:28])[OH:29])[cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 595783882-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 671550211-(3-Bromo-5-chloro-pyridin-4-yl)-ethanol

Product 1

HCID 699381464-[5-Chloro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-2-methoxy-benzonitrile

Sources & evidence

ORD record
ord-70f35e47e1d24ded854dcafac3d367d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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