Bicarbonate Ion → HCID 22262281, compound

HRID 663876Notes

Reaction equation

HRID 663876 reaction equation
[Br:23][CH2:24][C:25](=[O:26])[Br:27].[C:28](=[O:29])([O-:30])[OH:31].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH2:21])[OH:22])[cH:6][cH:7]1.[Na+:32].[OH2:39]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH:21][C:25]([CH2:24][Br:23])=[O:26])[OH:22])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 61147Bromoacetyl bromideHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22262281HCID 22262281, compound

Sources & evidence

ORD record
ord-ccb2004d32fd4687a809904010a7bf6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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