(2-Amino-5-chloro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester → (RS)-[5-Chloro-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,4]triazol-1-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HRID 289032

Reaction equation

HRID 289032 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](-[n:35]2[n:36][cH:37][n:38][c:39]2[CH2:40][O:41][CH:42]2[O:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:32][cH:33][cH:34]1)=[O:48])[CH3:49]>>[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](-[n:35]3[n:36][cH:37][n:38][c:39]3[CH2:40][O:41][CH:42]3[O:43][CH2:44][CH2:45][CH2:46][CH2:47]3)[cH:32][cH:33][cH:34]2)=[O:48])[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 69489727(2-Amino-5-chloro-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterHCID 696881563-Oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,4]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester

Product 1

HCID 86587004(RS)-[5-Chloro-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,4]triazol-1-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-fceec251a55241c696e7e7cbe9096812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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