Sodium ion → 2-chloro-4-[5-chloro-4-(hydroxymethyl)-3-pyridinyl]Benzonitrile

HRID 1228893Notes

Reaction equation

HRID 1228893 reaction equation
[Br:19][c:20]1[cH:21][n:22][cH:23][c:24]([Cl:28])[c:25]1[CH2:26][OH:27].[C:32](=[O:33])([O-:34])[O-:35].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:9]1.[Cl:29][CH2:30][Cl:31].[Na+:36].[Na+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:20]2[cH:21][n:22][cH:23][c:24]([Cl:28])[c:25]2[CH2:26][OH:27])[cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 44190471(3-Bromo-5-chloropyridin-4-yl)methanolHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product 1

HCID 699384462-chloro-4-[5-chloro-4-(hydroxymethyl)-3-pyridinyl]Benzonitrile

Sources & evidence

ORD record
ord-5cc3d1b5379240518ba6b8994d61a027
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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