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

HRID 2154113
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HRID 2154113 반응식
[Br:1][CH2:2][c:3]1[c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][o:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[C:37](=[O:38])([O-:39])[O-:40].[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][NH:24][CH2:25][c:26]1[c:27]([O:34][CH3:35])[cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1)=[O:36].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[K+:41].[K+:42].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[CH2:2]([c:3]1[c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][o:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12])[N:24]([CH2:23][C:22]([O:21][CH2:19][CH3:20])=[O:36])[CH2:25][c:26]1[c:27]([O:34][CH3:35])[cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]1
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반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 19895532Ethyl 2-(2,4-dimethoxybenzylamino)acetateHCID 67530071Ethyl 4-(bromomethyl)-3-phenylisoxazole-5-carboxylate

생성물

1
HCID 67530665Ethyl 4-(((2,4-dimethoxybenzyl)(2-ethoxy-2-oxoethyl)amino)methyl)-3-phenylisoxazole-5-carboxylate

출처 및 근거

ORD 기록
ord-4c1fa5de21ed4095b138ee0ba5df954e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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