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

HRID 696826Notes

Reaction equation

HRID 696826 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19].[C:20]([CH3:22])([CH3:23])([O:24][C:25](=[O:21])[CH2:26][C:27]([c:28]1[cH:29][c:30](-[c:34]2[n:35][o:36][c:37]([CH2:39][O:40][CH:41]3[O:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[cH:38]2)[cH:31][cH:32][cH:33]1)=[O:47])[CH3:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:18][C:25](=[O:24])[CH2:26][C:27]([c:28]2[cH:29][c:30](-[c:34]3[n:35][o:36][c:37]([CH2:39][O:40][CH:41]4[O:42][CH2:43][CH2:44][CH2:45][CH2:46]4)[cH:38]3)[cH:31][cH:32][cH:33]2)=[O:47])[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]

Participants

3

Reactant 2

HCID 69688689(2-Amino-4-chloro-5-dimethylamino-phenyl)-carbamic acid tert.-butyl esterHCID 69689155(RS)-3-Oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-3-yl]-phenyl}-propionic acid tert.-butyl ester

Product 1

HCID 86586836(RS)-[4-Chloro-5-dimethylamino-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-3-yl]-phenyl}-propionylamino)-phenyl]-carbamic acid tert.-butyl ester

Sources & evidence

ORD record
ord-c5c8b6b0456b47bdaa0bce59e513dacf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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