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

Formaldehyde → 1-[4-[4-Chloro-3-(methylamino)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

HRID 183919
Notes
Print preview

Reaction equation

HRID 183919 reaction equation
[C:29]([BH3-:30])#[N:31].[CH2:33]=[O:34].[CH3:35][OH:36].[NH2:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][n:17]3[n:18][c:19]([C:24]([F:25])([F:26])[F:27])[c:20]([Cl:23])[c:21]3[CH3:22])=[O:28])[CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8].[Na+:32].[OH2:37]>>[NH:1]([c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][n:17]3[n:18][c:19]([C:24]([F:25])([F:26])[F:27])[c:20]([Cl:23])[c:21]3[CH3:22])=[O:28])[CH2:13][CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8])[CH3:29]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 712FormaldehydeHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 498716Cyano-borohydrideHCID 578403391-[4-(3-Amino-4-chlorophenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Product 1

HCID 57840590
1-[4-[4-Chloro-3-(methylamino)phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone

Sources & evidence

ORD record
ord-fd385e792cab46fba68b7e23bb2f4799
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