3-[3-(6-Methyl-pyrazin-2-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester → (4-Chloro-5-methyl-2-{3-[3-(6-methyl-pyrazin-2-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 694867803-[3-(6-Methyl-pyrazin-2-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

HCID 69486983tert-Butyl (2-amino-4-chloro-5-methylphenyl)carbamate

생성물 1

HCID 86589309(4-Chloro-5-methyl-2-{3-[3-(6-methyl-pyrazin-2-yl)-phenyl]-3-oxo-propionylamino}-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-c58ba0eb996b43218496f2f6fff0e0d3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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