Water → 1-(3-Fluoro-3-(4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)phenyl)azetidin-1-yl)ethanone

HRID 2149320Notes

Reaction equation

HRID 2149320 reaction equation
[CH3:36][C:37]([Cl:38])=[O:39].[Cl:41][CH2:42][Cl:43].[F:1][C:2]1([c:6]2[cH:7][cH:8][c:9]([C:12]3=[N:13][O:14][C:15]([C:17]([F:18])([F:19])[F:20])([c:21]4[cH:22][c:23]([Cl:29])[c:24]([Cl:28])[c:25]([Cl:27])[cH:26]4)[CH2:16]3)[cH:10][cH:11]2)[CH2:3][NH:4][CH2:5]1.[OH2:40].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[F:1][C:2]1([c:6]2[cH:7][cH:8][c:9]([C:12]3=[N:13][O:14][C:15]([C:17]([F:18])([F:19])[F:20])([c:21]4[cH:22][c:23]([Cl:29])[c:24]([Cl:28])[c:25]([Cl:27])[cH:26]4)[CH2:16]3)[cH:10][cH:11]2)[CH2:3][N:4]([C:37]([CH3:36])=[O:39])[CH2:5]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 781477423-(4-(3-Fluoroazetidin-3-yl)phenyl)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole

Product 1

HCID 566502931-(3-Fluoro-3-(4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)phenyl)azetidin-1-yl)ethanone

Sources & evidence

ORD record
ord-447121a1e4784bf081fa598f6384c1b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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