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

Chloride → 6-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

HRID 203760
Notes
Print preview

Reaction equation

HRID 203760 reaction equation
[CH3:32][CH2:33][CH2:34][CH2:35][N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48].[CH:22]([OH:23])([CH3:24])[CH3:25].[Cl-:31].[Cl:18][CH2:19][C:20]#[N:21].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][C:10](=[O:13])[CH2:11][CH2:12]2)[cH:14][cH:15][c:16]1[F:17].[Cl:26][CH2:27][Cl:28].[Na+:30].[OH-:29].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][C:10]3([CH2:11][CH2:12]2)[O:13][CH:19]3[C:20]#[N:21])[cH:14][cH:15][c:16]1[F:17]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 312ChlorideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 6344DichloromethaneHCID 7856ChloroacetonitrileHCID 16028
Tetrabutylammonium
HCID 10611056N-(3-chloro-4-fluorobenzoyl)-piperidine-4-one

Product 1

HCID 120436336-(3-chloro-4-fluorobenzoyl)-1-Oxa-6-azaspiro[2.5]octane-2-carbonitrile

Sources & evidence

ORD record
ord-c0c79fa64df446368e78516df7427cd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes