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

HRID 1212505Notes

Reaction equation

HRID 1212505 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:14][N:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH3:24])[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][N:15]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH3:24])[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 66577314[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-ylmethyl]-methyl-phenethyl-amine

Product 1

HCID 665773711-(4'-{3-Methyl-4-[(methyl-phenethyl-amino)-methyl]-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-87abc4388e064f64a95906076b17d0c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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