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

반응식

[C:17]([CH3:19])([CH3:20])([O:21][C:22](=[O:18])[CH2:23][C:24]([c:25]1[cH:26][c:27](-[c:31]2[cH:32][n:33][cH:34][cH:35][cH:36]2)[cH:28][cH:29][cH:30]1)=[O:37])[CH3:38].[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]([Cl: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]([c:25]2[cH:26][c:27](-[c:31]3[cH:32][n:33][cH:34][cH:35][cH:36]3)[cH:28][cH:29][cH:30]2)=[O:37])[cH:10][c:11]([Cl:14])[cH:12][cH:13]1)=[O:16]

참가 물질

반응물 2

HCID 112664733-Oxo-3-(3-pyridin-3-yl-phenyl)-propionic acid tert-butyl ester

HCID 574562721,1-Dimethylethyl N-(2-amino-4-chlorophenyl)carbamate

생성물 1

HCID 86589243{4-Chloro-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-def024c0be6d4efb87a0b161d354009f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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