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Bromide ion → 5-(4-amino-2-cyanophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

HRID 1546531
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HRID 1546531 반응식
[Br-:37].[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])([CH3:35])[CH3:36].[CH3:11][n:12]1[c:13]([B:19]([OH:20])[OH:21])[cH:14][cH:15][c:16]1[C:17]#[N:18].[F-:22].[K+:23].[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:10])[c:6]([C:7]#[N:8])[cH:9]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:13]2[n:12]([CH3:11])[c:16]([C:17]#[N:18])[cH:15][cH:14]2)[c:6]([C:7]#[N:8])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 259Bromide ionHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 23938Palladium2회HCID 28179Fluoride IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 95417Dibenzylidene acetone3회
HCID 10997234
5-Amino-2-chlorobenzonitrile
HCID 11708078(5-cyano-1-methyl-1H-pyrrol-2-yl)boronic acid

생성물 1

HCID 160505295-(4-amino-2-cyanophenyl)-1-methyl-1H-pyrrole-2-carbonitrile

출처 및 근거

ORD 기록
ord-e337f7e4ac554ace9e28b1bc568097ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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