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Sodium Ion → 1-Methylethyl 4-({[4'-(4-morpholinylsulfonyl)-4-biphenylyl]oxy}methyl)-1-piperidinecarboxylate

HRID 1205819
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HRID 1205819 반응식
[Br:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][CH:28]2[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][CH:37]([CH3:38])[CH3:39])[CH2:32][CH2:33]2)[cH:24][cH:25]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:87][O:88][CH2:89][CH2:90][O:91][CH3:92].[Na+:44].[Na+:45].[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]2)[CH2:5][CH2:6]1.[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13](-[c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH:28]4[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][CH:37]([CH3:38])[CH3:39])[CH2:32][CH2:33]4)[cH:24][cH:25]3)[cH:14][cH:15]2)[CH2:5][CH2:6]1
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참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2회HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 441195464-(Morpholin-4-ylsulphonyl)benzeneboronic acidHCID 57930300
4-(4-Bromophenoxymethyl)piperidine-1-carboxylic acid isopropyl ester

생성물 1

HCID 591777741-Methylethyl 4-({[4'-(4-morpholinylsulfonyl)-4-biphenylyl]oxy}methyl)-1-piperidinecarboxylate

출처 및 근거

ORD 기록
ord-a55eb5252eda42f3a98d33e1c6b33b0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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