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

Hydrochloric Acid → N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N'-(1-naphthalenyl)urea

HRID 110722
Notes
Print preview

Reaction equation

HRID 110722 reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:44][C:45]#[N:46].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])[OH:23])[cH:7][cH:8]1.[OH2:47].[c:31]1([N:41]=[C:42]=[O:43])[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:42]([NH:41][c:31]2[cH:32][cH:33][cH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)=[O:43])[OH:23])[cH:7][cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 66589alpha-Naphthyl isocyanateHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261725
N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N'-(1-naphthalenyl)urea

Sources & evidence

ORD record
ord-bf61eca585de474c8c5ea7f61f5eec1e
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