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

Chloride → Methyl 4-[5-chloro-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoate

HRID 1563566
Notes
Print preview

Reaction equation

HRID 1563566 reaction equation
[C:1]([O:2][N:3]=[O:4])([CH3:5])([CH3:6])[CH3:7].[CH3:9][C:10]#[N:11].[Cl-:8].[NH2:12][c:13]1[c:14]([C:28]([NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)=[O:36])[cH:15][n:16][n:17]1-[c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1.[OH2:37]>>[Cl:8][c:13]1[c:14]([C:28]([NH:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)=[O:36])[cH:15][n:16][n:17]1-[c:18]1[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 312ChlorideHCID 962WaterHCID 6342AcetonitrileHCID 10906Tert-Butyl nitriteHCID 57437898Methyl 4-[5-amino-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoate

Product 1

HCID 57437896Methyl 4-[5-chloro-4-(cyclohexylcarbamoyl)pyrazol-1-yl]benzoate

Sources & evidence

ORD record
ord-0f09a87161674b2aaf44f1946ca6c53e
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