HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Bromide ion → Tert-butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate

HRID 1547709
Notes
Print preview

Reaction equation

HRID 1547709 reaction equation
[Br-:35].[Br:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][CH2:9][Cl:13])[CH2:11][CH2:12][Cl:10])=[O:14].[CH2:36]([P+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Na+:26].[OH-:25].[OH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]1[CH2:8][CH2:9][C:22]([c:19]2[cH:18][cH:17][c:16]([Br:15])[cH:21][cH:20]2)([C:23]#[N:24])[CH2:12][CH2:11]1)=[O:14]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 27914Benzeneacetonitrile, 4-bromo-HCID 84717Phosphonium, tributylhexadecyl-
HCID 11230235
N-BOC-N,N-Bis(2-chloroethyl)amine

Product 1

HCID 49760269Tert-butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate

Sources & evidence

ORD record
ord-34b0e5cbc2e34941b85c9e51e112f14d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes