Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate → 1-(4'-{3-Methyl-4-[(2-phenyl-propylamino)-methyl]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

HRID 1572201Notes

Reaction equation

HRID 1572201 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][NH:15][CH2:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1.[CH2:25]([CH3:26])[O:27][C:28](=[O:29])[C:30]1([c:33]2[cH:34][cH:35][c:36]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:37][cH:38]2)[CH2:31][CH2:32]1>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:30]3([C:28]([O:27][CH2:25][CH3:26])=[O:29])[CH2:31][CH2:32]3)[cH:38][cH:37]2)[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][NH:15][CH2:16][CH:17]([CH3:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:10]([CH3:13])[n:11][o:12]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 53217182Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylateHCID 66577303[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-(2-phenyl-propyl)-amine

Product 1

HCID 665772751-(4'-{3-Methyl-4-[(2-phenyl-propylamino)-methyl]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-26b378584fa94b5380aba82a7c7a81cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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