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

Dimethyl Sulfoxide → 4-(6,6-Dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide

HRID 92138
Notes
Print preview

Reaction equation

HRID 92138 reaction equation
[CH2:40]([OH:41])[CH3:42].[CH3:1][C:2]1([CH3:31])[CH2:3][C:4](=[O:30])[c:5]2[c:6]([C:26]([F:27])([F:28])[F:29])[n:7][n:8](-[c:11]3[cH:12][c:13]([NH:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:14]([C:15]#[N:16])[cH:17][cH:18]3)[c:9]2[CH2:10]1.[CH3:36][S:37]([CH3:38])=[O:39].[Na+:33].[OH-:32].[OH2:43].[OH:34][OH:35]>>[CH3:1][C:2]1([CH3:31])[CH2:3][C:4](=[O:30])[c:5]2[c:6]([C:26]([F:27])([F:28])[F:29])[n:7][n:8](-[c:11]3[cH:12][c:13]([NH:19][CH:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[c:14]([C:15]([NH2:16])=[O:32])[cH:17][cH:18]3)[c:9]2[CH2:10]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 702EthanolHCID 784Hydrogen PeroxideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 669529694-(6,6-Dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzonitrile

Product 1

HCID 118544404-(6,6-Dimethyl-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide

Sources & evidence

ORD record
ord-ca7c0b6e3c644868a1ac2350674debc0
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