N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine → (4-Fluoro-2-{3-[3-(6-methyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

HRID 139995

Reaction equation

HRID 139995 reaction equation
[C:17]([CH3:19])([CH3:20])([O:21][C:22](=[O:18])[CH2:23][C:24](=[O:25])[c:26]1[cH:27][c:28](-[c:32]2[cH:33][n:34][c:35]([CH3:38])[cH:36][cH:37]2)[cH:29][cH:30][cH:31]1)[CH3:39].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)=[O:16]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:15][C:22](=[O:21])[CH2:23][C:24](=[O:25])[c:26]2[cH:27][c:28](-[c:32]3[cH:33][n:34][c:35]([CH3:38])[cH:36][cH:37]3)[cH:29][cH:30][cH:31]2)[cH:10][c:11]([F:14])[cH:12][cH:13]1)=[O:16]

Participants

3

Reactant 2

HCID 24688763N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamineHCID 694893863-[3-(6-Methyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

Product 1

HCID 86589227(4-Fluoro-2-{3-[3-(6-methyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-0a7af0ddf54148e5b5c7b14e1d4d7b39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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