Tert-butyl (3-amino-4'-fluoro-[1,1'-biphenyl]-4-YL)carbamate → {4'-Fluoro-3-[3-oxo-3-(3-tetrazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

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

참가 물질

반응물 2

HCID 59737201Tert-butyl (3-amino-4'-fluoro-[1,1'-biphenyl]-4-YL)carbamate

HCID 695927913-Oxo-3-(3-tetrazol-1-yl-phenyl)-propionic acid ethyl ester

생성물 1

HCID 86588041{4'-Fluoro-3-[3-oxo-3-(3-tetrazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록: ord-03b16711c7e142569321481eac131e31
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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