Hydrogen Bromide → 3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenol

HRID 1121249Notes

Reaction equation

HRID 1121249 reaction equation
[BrH:30].[Cl:1][c:2]1[c:3]([CH:10]([C:11]([C:12]([F:13])([F:14])[F:15])([OH:16])[c:17]2[cH:18][c:19]([Cl:23])[n:20][cH:21][cH:22]2)[CH3:24])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[Cl:1][c:2]1[c:3]([CH:10]([C:11]([C:12]([F:13])([F:14])[F:15])([OH:16])[c:17]2[cH:18][c:19]([Cl:23])[n:20][cH:21][cH:22]2)[CH3:24])[cH:4][cH:5][c:6]([OH:8])[cH:7]1

Participants

5

Reactant 4

HCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 574212633-(2-Chloro-4-methoxy-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol

Product 1

HCID 574212643-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenol

Sources & evidence

ORD record
ord-5c33667f367b45e49052fa2e40897768
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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