HCID 69687567, compound → (4-Chloro-5-dimethylamino-2-{3-[3-(3-methoxymethyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

HRID 318047Notes

Reaction equation

HRID 318047 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](=[O:28])[c:29]1[cH:30][c:31](-[c:35]2[cH:36][c:37]([CH2:40][O:41][CH3:42])[n:38][o:39]2)[cH:32][cH:33][cH:34]1)[CH3:43]>>[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](=[O:28])[c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([CH2:40][O:41][CH3:42])[n:38][o:39]3)[cH:32][cH:33][cH:34]2)[cH:10][c:11]([Cl:17])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:19]

Participants

3

Reactant 2

HCID 69687567HCID 69687567, compoundHCID 69688689(2-Amino-4-chloro-5-dimethylamino-phenyl)-carbamic acid tert.-butyl ester

Product 1

HCID 86586817(4-Chloro-5-dimethylamino-2-{3-[3-(3-methoxymethyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert.-butyl ester

Sources & evidence

ORD record
ord-e354f0c1e6fa416794154569517932df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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