3-[3-(2-Ethyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester → HCID 86589400, 화합물

HRID 123195

반응식

HRID 123195 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[c:41]2[c:42]([CH2:47][CH3:48])[n:43][cH:44][cH:45][cH:46]2)[cH:38][cH:39][cH:40]1)[CH3:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[c:41]3[c:42]([CH2:47][CH3:48])[n:43][cH:44][cH:45][cH:46]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25]

참가 물질

3

반응물 2

HCID 694867823-[3-(2-Ethyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl esterHCID 76849205Carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

생성물 1

HCID 86589400HCID 86589400, 화합물

출처 및 근거

ORD 기록
ord-21b896d331a1443c9bb954d1c07ef13f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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