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

Ammonium → 1-Cyano-4-hydroxy-6-(4-propoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester

HRID 140132
Notes
Print preview

Reaction equation

HRID 140132 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:30])[c:11]2[cH:12][cH:13][c:14]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH3:29])[cH:24][cH:25]3)[cH:15][c:16]2[c:17]1[OH:18].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[ClH:36].[Cu:31][C:32]#[N:33].[NH4+:34].[OH-:35]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([C:32]#[N:33])[c:11]2[cH:12][cH:13][c:14]([O:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH3:29])[cH:24][cH:25]3)[cH:15][c:16]2[c:17]1[OH:18]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 313Hydrochloric AcidHCID 961HydroxideHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 866170781-Bromo-4-hydroxy-6-(4-propoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl esterHCID 178418546
HCID 178418546, compound

Product 1

HCID 671102651-Cyano-4-hydroxy-6-(4-propoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester

Sources & evidence

ORD record
ord-e26fef89daea4595895de9bd54f64978
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes