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Ethanol → 2-Acetyl-4-(2-n-butoxy-3,5-di-iso-propylphenyl)-5-fluorobenzo[b]thiophene

HRID 140061
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HRID 140061 반응식
[C:21]([CH3:22])(=[O:23])[c:24]1[cH:25][c:26]2[c:27]([s:28]1)[cH:29][cH:30][c:31]([F:34])[c:32]2[I:33].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][OH:51].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6]([B:13]([OH:14])[OH:15])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:41].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6](-[c:32]2[c:26]3[cH:25][c:24]([C:21]([CH3:22])=[O:23])[s:28][c:27]3[cH:29][cH:30][c:31]2[F:34])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 17952696(2-Butoxy-3,5-diisopropylphenyl)-boronic acidHCID 179527762-Acetyl-4-iodo-5-fluorobenzo[b]thiophene
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 179527492-Acetyl-4-(2-n-butoxy-3,5-di-iso-propylphenyl)-5-fluorobenzo[b]thiophene

출처 및 근거

ORD 기록
ord-3e1ca65ff92e42ae9c67d97873bdbe87
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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