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Sodium Ion → 4-(1-Phenyl-1-(3,5-difluorophenyl)-methylene)-piperidine-1-carboxylic Acid tert-butyl Ester

HRID 2125396
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HRID 2125396 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[Br:21])[CH2:12][CH2:13]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[F:22][c:23]1[cH:24][c:25]([B:30]([OH:31])[OH:32])[cH:26][c:27]([F:29])[cH:28]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:25]2[cH:24][c:23]([F:22])[cH:28][c:27]([F:29])[cH:26]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 2734338(3,5-Difluorophenyl)boronic acidHCID 59034585
4-(1-Bromo-1-phenyl-methylene)-piperidine-1-carboxylic Acid tert-butyl Ester

생성물 1

HCID 670464874-(1-Phenyl-1-(3,5-difluorophenyl)-methylene)-piperidine-1-carboxylic Acid tert-butyl Ester

출처 및 근거

ORD 기록
ord-dfa6f0612a964952aea4e45894917999
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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