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

Acetone → 4-fluoro-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]benzamide

HRID 91498
Notes
Print preview

Reaction equation

HRID 91498 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29].[C:32](=[O:33])([O-:34])[O-:35].[CH3:30][OH:31].[CH3:46][C:47](=[O:48])[CH3:49].[Cl:38][CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45].[Cs+:36].[Cs+:37]>>[O:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][c:11]2[cH:12][c:13]([C:22]([F:23])([F:24])[F:25])[c:14](-[n:17]3[cH:18][n:19][cH:20][cH:21]3)[cH:15][cH:16]2)[cH:26][cH:27][c:28]1[F:29])[CH2:39][C:40](=[O:41])[N:42]([CH3:43])[O:44][CH3:45]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 180AcetoneHCID 887MethanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27347162-Chloro-N-methoxy-N-methylacetamideHCID 18007835[2-Fluoro-5-[[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

Product 1

HCID 18007805
4-fluoro-N-[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]benzamide

Sources & evidence

ORD record
ord-e149c9801c9e456bb05c36f03b489070
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