3-Oxo-3-(3-pyridin-3-yl-phenyl)-propionic acid tert-butyl ester → {4-(4-Fluoro-phenylethynyl)-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

HRID 215616

Reaction equation

HRID 215616 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:12][cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32]([c:33]1[cH:34][c:35](-[c:39]2[cH:40][n:41][cH:42][cH:43][cH:44]2)[cH:36][cH:37][cH:38]1)=[O:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32]([c:33]2[cH:34][c:35](-[c:39]3[cH:40][n:41][cH:42][cH:43][cH:44]3)[cH:36][cH:37][cH:38]2)=[O:45])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:12][cH:13]1)=[O:24]

Participants

3

Reactant 2

HCID 112664733-Oxo-3-(3-pyridin-3-yl-phenyl)-propionic acid tert-butyl esterHCID 69486641[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester

Product 1

HCID 86589341{4-(4-Fluoro-phenylethynyl)-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-52c387aa5ae54282af9f180f2c7e7232
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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