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Toluene → HCID 35752705, 화합물

HRID 691519
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HRID 691519 반응식
[Br:7][c:8]1[c:9]([C:10](=[O:11])[N:12]([CH2:13][CH3:14])[CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]1.[C:67](=[O:68])([O-:69])[O-:70].[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Cs+:71].[Cs+:72].[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:118]=[C:119]([CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1)[CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:80].[Pd:81].[cH:21]1[cH:22][cH:23][c:24]([P:25]([c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66]1>>[CH2:1]1[CH2:2][N:3]([c:8]2[c:9]([C:10](=[O:11])[N:12]([CH2:13][CH3:14])[CH2:15][CH3:16])[cH:17][cH:18][cH:19][cH:20]2)[CH2:4][CH2:5][NH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 1140TolueneHCID 4837PiperazineHCID 19660Carbonate IonHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 634876Binap, (A+-)-
HCID 669044
2-bromo-N,N-diethylbenzamide

생성물 1

HCID 35752705HCID 35752705, 화합물

출처 및 근거

ORD 기록
ord-36ce7438495b474ead0b00942d96995f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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