Dimethylformamide → 1-{[3-(4-Methylphenyl)isoxazol-4-yl]carbonyl}-3-phenylpyrrolidin-3-ol

HRID 110930

Reaction equation

HRID 110930 reaction equation
[B-:13]([F:14])([F:15])([F:16])[F:17].[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][c:48](-[c:51]2[n:52][o:53][cH:54][c:55]2[C:56](=[O:57])[OH:58])[cH:49][cH:50]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[c:1]1([C:7]2([OH:12])[CH2:8][NH:9][CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[c:1]1([C:7]2([OH:12])[CH2:8][N:9]([C:56]([c:55]3[c:51](-[c:48]4[cH:47][cH:46][c:45]([CH3:44])[cH:50][cH:49]4)[n:52][o:53][cH:54]3)=[O:57])[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 2002813-Phenylpyrrolidin-3-olHCID 588287973-(4-Methylphenyl)isoxazole-4-carboxylic acid

Product 1

HCID 591701901-{[3-(4-Methylphenyl)isoxazol-4-yl]carbonyl}-3-phenylpyrrolidin-3-ol

Sources & evidence

ORD record
ord-dbc96e880d3f4b7d8eb49617236cecce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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