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

Hydrochloric Acid → Ethyl 2-{[6-(2-cyanophenyl)pyridin-3-yl]methyl}-3-oxohexanoate

HRID 1128749
Notes
Print preview

Reaction equation

HRID 1128749 reaction equation
[CH2:37]([N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH3:3][CH2:4][CH2:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[O:11][CH2:12][CH3:13].[Cl:14][CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28][cH:29]2)[n:20][cH:21]1.[ClH:30].[H-:1].[I-:36].[Na+:2].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH3:3][CH2:4][CH2:5][C:6](=[O:7])[CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:15][c:16]1[cH:17][cH:18][c:19](-[c:22]2[c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28][cH:29]2)[n:20][cH:21]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 166653HydrideHCID 238498Ethyl 3-oxohexanoate
HCID 9991395
2-(5-(Chloromethyl)pyridin-2-yl)benzonitrile

Product 1

HCID 67010152Ethyl 2-{[6-(2-cyanophenyl)pyridin-3-yl]methyl}-3-oxohexanoate

Sources & evidence

ORD record
ord-46dabf5dd56a4f50b69a6abfe9c38688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes