3-Oxo-3-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-propionic acid tert-butyl ester → (5-Chloro-2-{3-oxo-3-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HRID 321548

Reaction equation

HRID 321548 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:19])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([Cl:14])[cH:13]1)=[O:20].[C:21]([CH3:23])([CH3:24])([O:25][C:26](=[O:22])[CH2:27][C:28]([c:29]1[cH:30][c:31](-[c:35]2[cH:36][c:37]([C:41]([F:42])([F:43])[F:44])[n:38][cH:39][cH:40]2)[cH:32][cH:33][cH:34]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:19][C:26](=[O:25])[CH2:27][C:28]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([C:41]([F:42])([F:43])[F:44])[n:38][cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)=[O:45])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([Cl:14])[cH:13]1)=[O:20]

Participants

3

Reactant 2

HCID 694868433-Oxo-3-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-propionic acid tert-butyl esterHCID 69489727(2-Amino-5-chloro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Product 1

HCID 86589428(5-Chloro-2-{3-oxo-3-[3-(2-trifluoromethyl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-9d358b6775e64078b416ad45b529fc93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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