Ethyl Acetate → HCID 77391424, 화합물

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 113753-Aminoquinoline

HCID 27568322-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid

생성물 1

HCID 77391424HCID 77391424, 화합물

출처 및 근거

ORD 기록: ord-a416f4f2e3724e93952ae80ec10dcc15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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