Dimethylformamide → 4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-3-fluoro-benzonitrile

HRID 287349Notes

Reaction equation

HRID 287349 reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[Cl:17][c:18]1[cH:19][c:20]([OH:39])[cH:21][cH:22][c:23]1[CH:24]([C:25]([C:26]([F:27])([F:28])[F:29])([OH:30])[c:31]1[cH:32][c:33]([Cl:37])[n:34][cH:35][cH:36]1)[CH3:38].[Cs+:15].[Cs+:16].[F:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[F:10].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[F:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:39][c:20]1[cH:19][c:18]([Cl:17])[c:23]([CH:24]([C:25]([C:26]([F:27])([F:28])[F:29])([OH:30])[c:31]2[cH:32][c:33]([Cl:37])[n:34][cH:35][cH:36]2)[CH3:38])[cH:22][cH:21]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5872033,4-DifluorobenzonitrileHCID 574212643-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenol

Product 1

HCID 866459544-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-3-fluoro-benzonitrile

Sources & evidence

ORD record
ord-50e3175b84c4495daa1e1c2654c4d434
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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