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

HRID 90766

Reaction equation

HRID 90766 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31]([c:32]1[cH:33][c:34](-[c:38]2[n:39][cH:40][cH:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)=[O:44])[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31]([c:32]2[cH:33][c:34](-[c:38]3[n:39][cH:40][cH:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)=[O:44])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)=[O:23]

Participants

3

Reactant 2

HCID 11404065(2-Amino-4-phenylethynyl-phenyl)-carbamic acid tert-butyl esterHCID 694892013-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl ester

Product 1

HCID 86589331{2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-4-phenylethynyl-phenyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-17ee1bc274df42bcb12ed5629b05ddff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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