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Water → Ethyl 6-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-3-methylphenyl]-2-quinolinecarboxylate

HRID 1145050
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HRID 1145050 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:30][CH2:31][c:32]1[c:33](-[c:40]2[c:41]([Cl:47])[cH:42][cH:43][cH:44][c:45]2[Cl:46])[n:34][o:35][c:36]1[CH:37]([CH3:38])[CH3:39].[Cs+:5].[Cs+:6].[OH2:48].[OH:7][c:8]1[c:9]([CH3:29])[cH:10][c:11](-[c:14]2[cH:15][c:16]3[cH:17][cH:18][c:19]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:20][c:21]3[cH:22][cH:23]2)[cH:12][cH:13]1>>[O:7]([c:8]1[c:9]([CH3:29])[cH:10][c:11](-[c:14]2[cH:15][c:16]3[cH:17][cH:18][c:19]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:20][c:21]3[cH:22][cH:23]2)[cH:12][cH:13]1)[CH2:31][c:32]1[c:33](-[c:40]2[c:41]([Cl:47])[cH:42][cH:43][cH:44][c:45]2[Cl:46])[n:34][o:35][c:36]1[CH:37]([CH3:38])[CH3:39]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 592648754-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazoleHCID 59321464HCID 59321464, 화합물

생성물 1

HCID 59321528
Ethyl 6-[4-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-3-methylphenyl]-2-quinolinecarboxylate

출처 및 근거

ORD 기록
ord-024517b1c8f84afb9016d39fc3807a56
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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