Bicarbonate Ion → 3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-isoquinolin-5-yl-1-methyl-propyl)-phenol

HRID 1239769Notes

Reaction equation

HRID 1239769 reaction equation
[B:28]([Br:29])([Br:30])[Br:31].[Cl:1][c:2]1[c:3]([CH:10]([C:11]([C:12]([F:13])([F:14])[F:15])([OH:16])[c:17]2[c:18]3[cH:19][cH:20][n:21][cH:22][c:23]3[cH:24][cH:25][cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[Cl:38][CH2:39][Cl:40].[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[OH2:32]>>[Cl:1][c:2]1[c:3]([CH:10]([C:11]([C:12]([F:13])([F:14])[F:15])([OH:16])[c:17]2[c:18]3[cH:19][cH:20][n:21][cH:22][c:23]3[cH:24][cH:25][cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([OH:8])[cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 25134Boron tribromideHCID 57421300HCID 57421300, compound

Product 1

HCID 574213013-Chloro-4-(3,3,3-trifluoro-2-hydroxy-2-isoquinolin-5-yl-1-methyl-propyl)-phenol

Sources & evidence

ORD record
ord-ae803dbfdb0246f4a16f7720537505ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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