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Dichloromethane → 4-[5-(6-(4-Methyl-piperazin-1-ylmethyl)-4-oxo-4H-pyran-3-yloxy)-pentyloxy]-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

HRID 92528
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반응식

HRID 92528 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([C:36]([F:37])([F:38])[F:39])[cH:12][cH:13][c:14]2[c:15]1[O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][O:22][c:23]1[cH:24][o:25][c:26]([CH2:30][O:31][S:32]([CH3:33])(=[O:34])=[O:35])[cH:27][c:28]1=[O:29].[CH3:40][N:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[Cl:47][CH2:48][Cl:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][c:9]2[cH:10][c:11]([C:36]([F:37])([F:38])[F:39])[cH:12][cH:13][c:14]2[c:15]1[O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][O:22][c:23]1[cH:24][o:25][c:26]([CH2:30][N:44]2[CH2:43][CH2:42][N:41]([CH3:40])[CH2:46][CH2:45]2)[cH:27][c:28]1=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 3

HCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 576294474-[5-(6-Methanesulfonyloxymethyl-4-oxo-4H-pyran-3-yloxy)-pentyloxy]-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

생성물 1

HCID 103481744-[5-(6-(4-Methyl-piperazin-1-ylmethyl)-4-oxo-4H-pyran-3-yloxy)-pentyloxy]-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-a50cb7822bc94a389c79d612e9ddb596
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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