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

HRID 204237
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반응식

HRID 204237 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30]([c:31]1[cH:32][c:33](-[c:37]2[cH:38][c:39]([N:43]3[CH2:44][CH2:45][CH2:46][CH2:47]3)[n:40][cH:41][cH:42]2)[cH:34][cH:35][cH:36]1)=[O:48])[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30]([c:31]2[cH:32][c:33](-[c:37]3[cH:38][c:39]([N:43]4[CH2:44][CH2:45][CH2:46][CH2:47]4)[n:40][cH:41][cH:42]3)[cH:34][cH:35][cH:36]2)=[O:48])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)=[O:22]
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반응물 2

HCID 67361421Carbamic acid,n-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl esterHCID 694867143-Oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionic acid tert-butyl ester

생성물 1

HCID 86589461(5-Ethoxy-2-{3-oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-ea91bd9d6b08486b9131ff29e7921a5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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