Hydrogen Bromide → 3-Chloro-4-(3,3,3-trifluoro-2-hydroxy-1-methyl-2-quinolin-3-yl-propyl)-phenol

HRID 1559990Notes

Reaction equation

HRID 1559990 reaction equation
[BrH:41].[C:35](=[O:36])([O-:37])[O-:38].[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[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][n:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[Na+:39].[Na+:40].[OH2:28]>>[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][n:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[cH:26]2)[CH3:27])[cH:4][cH:5][c:6]([OH:8])[cH:7]1

Participants

7

Reactant 6

HCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 574212983-(2-Chloro-4-methoxy-phenyl)-1,1,1-trifluoro-2-quinolin-3-yl-butan-2-ol

Product 1

HCID 574212993-Chloro-4-(3,3,3-trifluoro-2-hydroxy-1-methyl-2-quinolin-3-yl-propyl)-phenol

Sources & evidence

ORD record
ord-1bbf548850e54305a7429f0226802875
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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