Ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate → 2-(4'-{4-[1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-propionic acid ethyl ester

HRID 189939Notes

Reaction equation

HRID 189939 reaction equation
[CH2:27]([CH3:28])[O:29][C:30]([CH:31]([CH3:32])[c:33]1[cH:34][cH:35][c:36]([B:39]2[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]2)[cH:37][cH:38]1)=[O:48].[F:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([CH:8]([CH3:9])[O:10][C:11]([NH:12][c:13]2[c:14]([CH3:25])[n:15][o:16][c:17]2-[c:18]2[cH:19][cH:20][c:21](-[c:36]3[cH:35][cH:34][c:33]([CH:31]([C:30]([O:29][CH2:27][CH3:28])=[O:48])[CH3:32])[cH:38][cH:37]3)[cH:22][cH:23]2)=[O:26])[cH:4][cH:5][cH:6][cH:7]1

Participants

3

Reactant 2

HCID 58539349Ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoateHCID 67352942[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid 1-(2-fluoro-phenyl)-ethyl ester

Product 1

HCID 673522002-(4'-{4-[1-(2-Fluoro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-propionic acid ethyl ester

Sources & evidence

ORD record
ord-659fa98027e14314bd4daed6e086e9de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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