2-Bromobenzenethiol → 4-Hydroxy-4-(2-mercapto-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

HRID 2329466Notes

Reaction equation

HRID 2329466 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[SH:8].[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][C:33]([OH:36])([c:37]2[c:38]([SH:44])[cH:39][cH:40][c:41]([F:43])[cH:42]2)[CH2:34][CH2:35]1.[C:9]([O:10][C:11]([N:12]1[CH2:13][CH2:14][C:15](=[O:16])[CH2:17][CH2:18]1)=[O:19])([CH3:20])([CH3:21])[CH3:22]>>[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH2:31][CH2:32][C:33]([OH:36])([c:37]2[c:38]([SH:44])[cH:39][cH:40][cH:41][cH:42]2)[CH2:34][CH2:35]1

Participants

4

Reactant 3

HCID 805982-BromobenzenethiolHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 686821134-(5-Fluoro-2-mercapto-phenyl)-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 686822154-Hydroxy-4-(2-mercapto-phenyl)-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-f811bcead5d6440faca8a9bb93cc0d9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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