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Toluene → 4'-Methylbutyrophenone

HRID 103240
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HRID 103240 반응식
[C:11](=[O:12])([O-:13])[O-:14].[C:17]([CH2:18][CH2:19][CH3:20])(=[O:21])[Cl:22].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Cs+:15].[Cs+:16].[c:1]1([CH3:10])[cH:2][cH:3][c:4]([B:7]([OH:8])[OH:9])[cH:5][cH:6]1.[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:1]1([CH3:10])[cH:2][cH:3][c:4]([C:17]([CH2:18][CH2:19][CH3:20])=[O:21])[cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1140TolueneHCID 8855Butyryl chlorideHCID 19660Carbonate IonHCID 79799Tolylboronic acidHCID 104967Cesium cation2회HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 77811
4'-Methylbutyrophenone

출처 및 근거

ORD 기록
ord-97107b7466344f0997b2bd8322abeec4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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