Carbamic acid,[2-amino-5-[methyl(1-methylethyl)amino]-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → HCID 86586890, 화합물

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]([CH3:15])[CH: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](=[O:33])[c:34]1[cH:35][c:36](-[c:40]2[cH:41][c:42]([CH3:45])[n:43][o:44]2)[cH:37][cH:38][cH:39]1)[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](=[O:33])[c:34]2[cH:35][c:36](-[c:40]3[cH:41][c:42]([CH3:45])[n:43][o:44]3)[cH:37][cH:38][cH:39]2)[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:24]

참가 물질

반응물 2

HCID 69486615Carbamic acid,[2-amino-5-[methyl(1-methylethyl)amino]-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

HCID 695928713-[3-(3-Methyl-isoxazol-5-yl)-phenyl)-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86586890HCID 86586890, 화합물

출처 및 근거

ORD 기록: ord-ccfdb0e02a1b47738c29a0bab4bed929
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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