[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl ester → (4-(4-Fluoro-phenylethynyl)-2-{3-[3-(4-methyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

HRID 198729

Reaction equation

HRID 198729 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](=[O:33])[c:34]1[cH:35][c:36](-[n:40]2[cH:41][n:42][c:43]([CH3:45])[cH:44]2)[cH:37][cH:38][cH:39]1)[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](=[O:33])[c:34]2[cH:35][c:36](-[n:40]3[cH:41][n:42][c:43]([CH3:45])[cH:44]3)[cH:37][cH:38][cH:39]2)[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 69486641[2-Amino-4-(4-fluoro-phenylethynyl)-phenyl]-carbamic acid tert-butyl esterHCID 695927773-[3-(4-Methyl-imidazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester

Product 1

HCID 86588035(4-(4-Fluoro-phenylethynyl)-2-{3-[3-(4-methyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

Sources & evidence

ORD record
ord-962c30e698654700a755a407715da671
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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