Carbonate Ion → 3-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzonitrile

HRID 1203398Notes

Reaction equation

HRID 1203398 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cl:25][c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][c:33]1[F:34].[Cs+:39].[Cs+:40]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([O:8][c:33]2[c:26]([Cl:25])[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[cH:7]1

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1455253-Chloro-4-fluorobenzonitrileHCID 574213145-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1-methyl-1H-pyridin-2-one

Product 1

HCID 574213153-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzonitrile

Sources & evidence

ORD record
ord-9108b94a2db846cfb2249f2fa39526c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…