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Carbamic acid,n-[2-amino-5-ethyl-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → (5-Ethyl-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HRID 207235
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반응식

HRID 207235 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:20])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)=[O:21].[C:22]([CH3:24])([CH3:25])([O:26][C:27](=[O:23])[CH2:28][C:29](=[O:30])[c:31]1[cH:32][c:33](-[c:37]2[cH:38][c:39]([CH3:43])[n:40][cH:41][cH:42]2)[cH:34][cH:35][cH:36]1)[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:20][C:27](=[O:26])[CH2:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:37]3[cH:38][c:39]([CH3:43])[n:40][cH:41][cH:42]3)[cH:34][cH:35][cH:36]2)[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)=[O:21]
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반응물 2

HCID 69486873Carbamic acid,n-[2-amino-5-ethyl-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl esterHCID 694893073-[3-(2-Methyl-pyridin-4-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589387(5-Ethyl-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8348334948d9430a88c7cd982f092c0b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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