Bicarbonate Ion → (3RS,4SR)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidin-3-ylamine

Reaction equation

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([c:16]2[cH:17][c:18]([F:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH:11]([N+:13]([O-:14])=[O:15])[CH2:12]1.[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[Na+:28].[O-:24][C:25]([OH:26])=[O:27]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([c:16]2[cH:17][c:18]([F:23])[c:19]([Cl:22])[cH:20][cH:21]2)[CH:11]([NH2:13])[CH2:12]1

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 8857Ethyl Acetate

HCID 67218001HCID 67218001, compound

Product 1

HCID 67218122(3RS,4SR)-1-Benzyl-4-(4-chloro-3-fluoro-phenyl)-pyrrolidin-3-ylamine

Sources & evidence

ORD record: ord-a42f729bfc8f411cb17f41a1d5fdefaa
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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