Bicarbonate Ion → {4'-[3-Methyl-4-(1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-biphenyl-4-yl}-acetic acid ethyl ester

HRID 143758Notes

Reaction equation

HRID 143758 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][c:31]1[cH:32][cH:33][c:34]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:35][cH:36]1)=[O:46].[Na+:51].[c:1]1([CH:7]([CH3:8])[O:9][C:10]([NH:11][c:12]2[c:13]([CH3:24])[n:14][o:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([Br:23])[cH:21][cH:22]2)=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[O:9][C:10]([NH:11][c:12]2[c:13]([CH3:24])[n:14][o:15][c:16]2-[c:17]2[cH:18][cH:19][c:20](-[c:34]3[cH:33][cH:32][c:31]([CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:46])[cH:36][cH:35]3)[cH:21][cH:22]2)=[O:25])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 46737998Ethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateHCID 66660478[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid 1-phenyl-ethyl ester

Product 1

HCID 67351655{4'-[3-Methyl-4-(1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-biphenyl-4-yl}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-b6fdd746b20d45b98a9cca0fe8166c3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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