3-Oxo-3-(3-[1,2,3)triazol-1-yl-phenyl)-propionic acid ethyl ester → tert-butyl N-[4-(2,5-difluorophenyl)-5-methoxy-2-[[3-oxo-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamate

반응식

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

참가 물질

반응물 2

HCID 695928683-Oxo-3-(3-[1,2,3)triazol-1-yl-phenyl)-propionic acid ethyl ester

HCID 70001319tert-butyl N-[2-amino-4-(2,5-difluorophenyl)-5-methoxyphenyl]carbamate

생성물 1

HCID 86758260tert-butyl N-[4-(2,5-difluorophenyl)-5-methoxy-2-[[3-oxo-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamate

출처 및 근거

ORD 기록: ord-e18701b8b652427ab382a8e761551f42
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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