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Potassium Cation → 5-[1-(ethylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-methyl-1H-pyrrole-2-carbonitrile

HRID 137699
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HRID 137699 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[CH2:14][CH3:15])[CH2:6][CH2:5]2.[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH3:16][n:17]1[c:18]([B:24]([OH:25])[OH:26])[cH:19][cH:20][c:21]1[C:22]#[N:23].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F-:27].[K+:28].[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:48].[Pd:49]>>[c:2]1(-[c:18]2[n:17]([CH3:16])[c:21]([C:22]#[N:23])[cH:20][cH:19]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[CH2:14][CH3:15])[CH2:6][CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium CationHCID 8857Ethyl AcetateHCID 23938Palladium2회HCID 28179Fluoride IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 95417Dibenzylidene acetone3회HCID 11708078(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid
HCID 68426141
5-Bromo-1-(ethylsulfonyl)indoline

생성물 1

HCID 250039065-[1-(ethylsulfonyl)-2,3-dihydro-1H-indol-5-yl]-1-methyl-1H-pyrrole-2-carbonitrile

출처 및 근거

ORD 기록
ord-e9278cd4791c4da6b0f9a9981d19f924
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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