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

HRID 1203402
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반응식

HRID 1203402 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](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[c:39]([CH:44]3[CH2:45][CH2:46]3)[n:40][cH:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)[CH3:47]>>[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](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[c:39]([CH:44]4[CH2:45][CH2:46]4)[n:40][cH:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)[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 694870613-[3-(2-Cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589391(2-{3-[3-(2-Cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-ethoxy-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-fb3dbd9922ec47e69b6bf97bb417c569
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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