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

Acetate → 5-methyl-2-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile

HRID 835226
Notes
Print preview

Reaction equation

HRID 835226 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:18][CH:19]([CH3:20])[c:21]3[cH:22][n:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:31][CH2:32]2)[c:6]([C:7]#[N:8])[cH:9]1.[C:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[CH3:33][B:34]([OH:35])[OH:36].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:45]1([P:46]([CH:47]2[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]2)[CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[K+:42].[K+:43].[K+:44].[OH2:73].[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[Pd+2:68]>>[c:2]1([CH3:33])[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:18][CH:19]([CH3:20])[c:21]3[cH:22][n:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:31][CH2:32]2)[c:6]([C:7]#[N:8])[cH:9]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 139377Methylboronic Acid
HCID 691771085-bromo-2-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile

Product 1

HCID 684209395-methyl-2-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile

Sources & evidence

ORD record
ord-c4c13d8c5f634e00b9f1b36dcdf8e1aa
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes