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

HRID 121540

Reaction equation

HRID 121540 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].[CH2:25]([O:27][C:28](=[O:26])[CH2:29][C:30]([c:31]1[cH:32][c:33](-[n:37]2[n:38][n:39][cH:40][cH:41]2)[cH:34][cH:35][cH:36]1)=[O:42])[CH3:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:28](=[O:27])[CH2:29][C:30]([c:31]2[cH:32][c:33](-[n:37]3[n:38][n:39][cH:40][cH:41]3)[cH:34][cH:35][cH:36]2)=[O:42])[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 695928683-Oxo-3-(3-[1,2,3)triazol-1-yl-phenyl)-propionic acid ethyl ester

Product 1

HCID 86588067{4-(4-Fluoro-phenylethynyl)-2-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert.-butyl ester

Sources & evidence

ORD record
ord-f872cf50b3fa4d00a167bb34c7517487
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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