2-(4-Fluorophenoxy)nicotinic acid → (+/-)-2-[3-Fluoro-4-({[2-(4-fluoro-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid tert-butyl ester

HRID 1122409Notes

Reaction equation

HRID 1122409 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([CH:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([F:35])[c:30]([CH2:33][NH2:34])[cH:31][cH:32]1)=[O:36].[CH3:56][O:57][C:58](=[O:59])[CH2:60][O:61][c:62]1[cH:63][cH:64][c:65]([CH2:66][NH2:67])[c:68]([F:69])[cH:70]1.[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17]1.[O:37]1[c:38]2[cH:39][cH:40][c:41]([O:42][c:43]3[n:44][cH:45][cH:46][cH:47][c:48]3[C:49]([OH:50])=[O:51])[cH:52][c:53]2[O:54][CH2:55]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:11])[NH:34][CH2:33][c:30]3[c:29]([F:35])[cH:28][c:27]([O:26][CH:24]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:36])[CH3:25])[cH:32][cH:31]3)[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17]1

Participants

5

Reactant 4

HCID 6051232-(4-Fluorophenoxy)nicotinic acidHCID 27368792-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acidHCID 18174008Methyl 2-[4-(aminomethyl)-3-fluorophenoxy]acetateHCID 23529364(+)-2-(4-Aminomethyl-3-fluoro-phenoxy)-propionic acid tert-butyl ester

Product 1

HCID 23529358(+/-)-2-[3-Fluoro-4-({[2-(4-fluoro-phenoxy)-pyridine-3-carbonyl]-amino}-methyl)-phenoxy]-propionic acid tert-butyl ester

Sources & evidence

ORD record
ord-274eb865d3894425927f5f90125dd231
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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