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Potassium Cation → Methyl 4-(1,3-benzodioxol-5-yl)-1,2-dihydro-6-ethoxy-1-(2-methoxybenzyl)-2-oxoquinoline-3-carboxylate

HRID 2334468
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HRID 2334468 반응식
[C:125](=[O:126])([O-:127])[O-:128].[C:78]([O:79][C:80]([NH:81][c:82]1[cH:83][cH:84][c:85]([O:86][CH2:87][CH3:88])[cH:89][cH:90]1)=[O:91])([CH3:92])([CH3:93])[CH3:94].[C:95]([Li:96])([CH3:97])([CH3:98])[CH3:99].[CH2:103]([N:104]([CH:105]([CH3:106])[CH3:107])[CH:108]([CH3:109])[CH3:110])[CH3:111].[CH2:115]1[O:116][CH2:117][CH2:118][CH2:119]1.[CH2:67]1[O:68][c:69]2[cH:70][cH:71][c:72]([CH:73]=[O:74])[cH:75][c:76]2[O:77]1.[CH3:112][O-:113].[CH3:1][O:2][c:3]1[c:4]([CH2:5][Cl:6])[cH:7][cH:8][cH:9][cH:10]1.[Cl:100][CH2:101][Cl:102].[Cl:59][C:60]([CH2:61][C:62]([O:63][CH3:64])=[O:65])=[O:66].[K+:129].[K+:130].[NH2:38][c:39]1[cH:40][cH:41][c:42]([O:43][CH2:44][CH3:45])[cH:46][c:47]1[C:48](=[O:49])[c:50]1[cH:51][cH:52][c:53]2[c:57]([cH:58]1)[O:56][CH2:55][O:54]2.[Na+:114].[O:11]1[CH2:12][O:13][c:14]2[c:15]1[cH:16][cH:17][c:18](-[c:20]1[c:21]([C:34](=[O:35])[O:36][CH3:37])[c:22](=[O:33])[nH:23][c:24]3[cH:25][cH:26][c:27]([O:30][CH2:31][CH3:32])[cH:28][c:29]13)[cH:19]2.[O:120]=[CH:121][N:122]([CH3:123])[CH3:124]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][n:23]2[c:22](=[O:33])[c:21]([C:34](=[O:35])[O:36][CH3:37])[c:20](-[c:18]3[cH:17][cH:16][c:15]4[c:14]([cH:19]3)[O:13][CH2:12][O:11]4)[c:29]3[c:24]2[cH:25][cH:26][c:27]([O:30][CH2:31][CH3:32])[cH:28]3)[cH:7][cH:8][cH:9][cH:10]1
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참가 물질

16

반응물 15

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8438PiperonalHCID 19660Carbonate IonHCID 81495
2-(Chloromethyl)anisole
HCID 81531Diisopropylethylamine
HCID 123460Methyl malonyl chloride
HCID 3826051Methoxide
HCID 4935448Tert-butyl 4-ethoxyphenylcarbamate
HCID 189361681-Amino-2-(3,4-methylenedioxybenzoyl)-4-ethoxybenzene
HCID 53948070Methyl 4-(1,3-benzodioxol-5-yl)-1, 2-dihydro-6-ethoxy-2-oxoquinoline-3-carboxylate
HCID 178418306HCID 178418306, 화합물

생성물 1

HCID 9913328Methyl 4-(1,3-benzodioxol-5-yl)-1,2-dihydro-6-ethoxy-1-(2-methoxybenzyl)-2-oxoquinoline-3-carboxylate

출처 및 근거

ORD 기록
ord-6e5ed81327874c1885d586325bf58bc1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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