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Carbamic acid,[2-amino-5-(methylpropylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → {5-(Methyl-propyl-amino)-2-[3-oxo-3-(3-pyrazin-2-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester

HRID 163290
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HRID 163290 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32]([c:33]1[cH:34][c:35](-[c:39]2[n:40][cH:41][cH:42][n:43][cH:44]2)[cH:36][cH:37][cH:38]1)=[O:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32]([c:33]2[cH:34][c:35](-[c:39]3[n:40][cH:41][cH:42][n:43][cH:44]3)[cH:36][cH:37][cH:38]2)=[O:45])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)=[O:24]
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반응물 2

HCID 69486655Carbamic acid,[2-amino-5-(methylpropylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl esterHCID 694891033-Oxo-3-(3-pyrazin-2-yl-phenyl)-propionic acid tert-butyl ester

생성물 1

HCID 86589293{5-(Methyl-propyl-amino)-2-[3-oxo-3-(3-pyrazin-2-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-e924ef4b1bab4481b153a8568da0db8d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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