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

Acetic Acid → 4-[3-(methylamino)-1H-indazol-5-yl]-6-{2-[(2-methylpropyl)oxy]phenyl}pyrimidin-2(1H)-one

HRID 94194
Notes
Print preview

Reaction equation

HRID 94194 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:29]=[O:30].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH3:40][C:41](=[O:42])[OH:43].[NH2:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12.[Na+:39]>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12)[CH3:31]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium IonHCID 6228DimethylformamideHCID 498716Cyano-borohydrideHCID 251213724-(3-amino-1H-indazol-5-yl)-6-(2-isobutoxyphenyl)pyrimidin-2(1H)-one

Product 1

HCID 25122827
4-[3-(methylamino)-1H-indazol-5-yl]-6-{2-[(2-methylpropyl)oxy]phenyl}pyrimidin-2(1H)-one

Sources & evidence

ORD record
ord-d47a5265384c49628eaf7ab618ea4f81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes