Bromide ion → Tert-butyl 4-(5-bromo-2-fluorobenzoyl)-4-hydroxypiperidine-1-carboxylate

HRID 1200494Notes

Reaction equation

HRID 1200494 reaction equation
[Br-:1].[Br-:2].[Br-:3].[Br-:45].[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C:20]([OH:23])([C:24]2([c:30]3[c:31]([F:37])[cH:32][cH:33][c:34]([Br:36])[cH:35]3)[S:25][CH2:26][CH2:27][CH2:28][S:29]2)[CH2:21][CH2:22]1.[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[Cl:63][CH2:64][Cl:65].[OH2:44].[OH2:66].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[n:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C:20]([OH:23])([C:24]([c:30]2[c:31]([F:37])[cH:32][cH:33][c:34]([Br:36])[cH:35]2)=[O:44])[CH2:21][CH2:22]1

Participants

7

Reactant 6

HCID 259Bromide ion4×HCID 962Water2×HCID 1049Pyridine2×HCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 113064294-[2-(5-Bromo-2-fluoro-phenyl)-[1,3]dithian-2-yl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 11774000Tert-butyl 4-(5-bromo-2-fluorobenzoyl)-4-hydroxypiperidine-1-carboxylate

Sources & evidence

ORD record
ord-0fda4b6fc11540afa2badd1bc917e297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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