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

Potassium Cation → 3-{3-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy}-5-methyl-benzonitrile

HRID 1238588
Notes
Print preview

Reaction equation

HRID 1238588 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH:32]([CH3:33])([CH3:34])[c:35]1[c:36]([O:43][c:44]2[cH:45][c:46]([C:47]#[N:48])[cH:49][c:50]([CH3:52])[cH:51]2)[nH:37][c:38](=[O:42])[nH:39][c:40]1=[O:41].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[Cl:65][CH2:66][Cl:67].[I-:59].[K+:57].[K+:58].[Li+:60].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][n:37]2[c:36]([O:43][c:44]3[cH:45][c:46]([C:47]#[N:48])[cH:49][c:50]([CH3:52])[cH:51]3)[c:35]([CH:32]([CH3:33])[CH3:34])[c:40](=[O:41])[nH:39][c:38]2=[O:42])[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 28486Lithium ion
HCID 30165
Iodide Ion
HCID 31297Methanesulfonyl chloride
HCID 591847142-Chloro-6-(p-methoxybenzylamino)-4-pyridinemethanol
HCID 596868373-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy)-5-methyl-benzonitrile

Product 1

HCID 596868493-{3-[2-Chloro-6-(4-methoxy-benzylamino)-pyridin-4-ylmethyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy}-5-methyl-benzonitrile

Sources & evidence

ORD record
ord-8c8626b40cb44b8aaf81a706bb23229a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes