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

Acetone → 7-(2-Amino-6-chloro-pyrimidin-4-yloxy)-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 934327
Notes
Print preview

Reaction equation

HRID 934327 reaction equation
[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][C:44](=[O:45])[CH3:46].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[N:12]2[c:13]3[c:14]([cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7][cH:8]1)([F:24])[F:25].[NH2:26][c:27]1[n:28][c:29]([Cl:34])[cH:30][c:31]([Cl:33])[n:32]1.[Na+:36].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH-:35].[OH2:47]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[N:12]2[c:13]3[c:14]([cH:19][c:20]([O:23][c:31]4[cH:30][c:29]([Cl:34])[n:28][c:27]([NH2:26])[n:32]4)[cH:21][cH:22]3)[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7][cH:8]1)([F:24])[F:25]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 655222-Amino-4,6-dichloropyrimidine
HCID 86618286
HCID 86618286, compound

Product 1

HCID 595963677-(2-Amino-6-chloro-pyrimidin-4-yloxy)-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-5c78151b1fde4ddc806baae0596b4946
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes