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Methanol → Benzhydrylidene-(3-(4-dimethylamino-cyclohex-1-enyl)-2-fluoro-phenyl)-amine

HRID 1239825
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인쇄 미리보기

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HRID 1239825 반응식
[Br:1][c:2]1[c:3]([F:17])[c:4]([C:8]2=[CH:9][CH2:10][CH:11]([N:14]([CH3:15])[CH3:16])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[C:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[NH:31].[CH3:142][c:143]1[cH:144][cH:145][cH:146][cH:147][cH:148]1.[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[CH3:84][OH:85].[Na+:83].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[c:2]1([N:31]=[C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([F:17])[c:4]([C:8]2=[CH:9][CH2:10][CH:11]([N:14]([CH3:15])[CH3:16])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 887MethanolHCID 923Sodium IonHCID 1140TolueneHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 136809Benzophenone imineHCID 634876Binap, (A+-)-
HCID 4574913
2-Methylpropan-2-olate
HCID 58852349(4-(3-Bromo-2-fluoro-phenyl)-cyclohex-3-enyl)-dimethyl-amine

생성물 1

HCID 86611762Benzhydrylidene-(3-(4-dimethylamino-cyclohex-1-enyl)-2-fluoro-phenyl)-amine

출처 및 근거

ORD 기록
ord-216e678f425e4b11af6d580b160aa8b0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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