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

HRID 95427Notes

Reaction equation

HRID 95427 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.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([N:39]=[C:40]=[O:41])[cH:37][cH:38]1)([F:42])[F:43].[OH2:47]>>[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:40]([NH:39][c:36]2[cH:35][cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37]2)=[O:41])[OH:23])[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261802N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-N'-(4-(trifluoromethyl)phenyl)urea

Sources & evidence

ORD record
ord-0565fb4218944674859b19f84fdfd755
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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