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

HRID 100532Notes

Reaction equation

HRID 100532 reaction equation
[CH2:28]([CH3:29])[O:30][C:31](=[O:32])[C:33]1([c:36]2[cH:37][cH:38][c:39]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:40][cH:41]2)[CH2:34][CH2:35]1.[CH3:1][O:2][c:3]1[c:4]([CH:9]([CH3:10])[O:11][C:12]([NH:13][c:14]2[c:15]([CH3:26])[n:16][o:17][c:18]2-[c:19]2[cH:20][cH:21][c:22]([Br:25])[cH:23][cH:24]2)=[O:27])[cH:5][cH:6][cH:7][cH:8]1>>[CH3:1][O:2][c:3]1[c:4]([CH:9]([CH3:10])[O:11][C:12]([NH:13][c:14]2[c:15]([CH3:26])[n:16][o:17][c:18]2-[c:19]2[cH:20][cH:21][c:22](-[c:39]3[cH:38][cH:37][c:36]([C:33]4([C:31]([O:30][CH2:28][CH3:29])=[O:32])[CH2:34][CH2:35]4)[cH:41][cH:40]3)[cH:23][cH:24]2)=[O:27])[cH:5][cH:6][cH:7][cH:8]1

Participants

3

Reactant 2

HCID 53217182Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylateHCID 66660349[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid 1-(2-methoxy-phenyl)-ethyl ester

Product 1

HCID 666602791-(4'-{4-[1-(2-Methoxy-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-f732f806a2504d7289cf97abb86ae812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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