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Potassium Cation → Ethyl 4-(((2,4-dimethoxybenzyl)(2-ethoxy-2-oxoethyl)amino)methyl)-3-(thiophen-2-yl)isoxazole-5-carboxylate

HRID 2336848
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HRID 2336848 반응식
[Br:1][CH2:2][c:3]1[c:4](-[c:13]2[s:14][cH:15][cH:16][cH:17]2)[n:5][o:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[C:36](=[O:37])([O-:38])[O-:39].[CH2:18]([CH3:19])[O:20][C:21]([CH2:22][NH:23][CH2:24][c:25]1[c:26]([O:33][CH3:34])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)=[O:35].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[K+:40].[K+:41].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[CH2:2]([c:3]1[c:4](-[c:13]2[s:14][cH:15][cH:16][cH:17]2)[n:5][o:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12])[N:23]([CH2:22][C:21]([O:20][CH2:18][CH3:19])=[O:35])[CH2:24][c:25]1[c:26]([O:33][CH3:34])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1
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참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 19895532Ethyl 2-(2,4-dimethoxybenzylamino)acetateHCID 67530400Ethyl 4-(bromomethyl)-3-(thiophen-2-yl)isoxazole-5-carboxylate

생성물 1

HCID 67530282Ethyl 4-(((2,4-dimethoxybenzyl)(2-ethoxy-2-oxoethyl)amino)methyl)-3-(thiophen-2-yl)isoxazole-5-carboxylate

출처 및 근거

ORD 기록
ord-2795bde2f44e4bc4b043b4283b14b10c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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