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Dimethylformamide → 4-(3-Benzyloxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

HRID 2312842
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HRID 2312842 반응식
[Br:1][c:2]1[cH:3][c:4]([S:12](=[O:13])(=[O:14])[NH:15][CH3:16])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][CH2:25][CH2:26][CH2:27][c:28]1[n:29][c:30]([C:38]#[N:39])[n:31][c:32]([Sn:34]([CH3:35])([CH3:36])[CH3:37])[cH:33]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd:51]([Cl:52])[Cl:53].[c:54]1([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([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)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[c:2]1(-[c:32]2[n:31][c:30]([C:38]#[N:39])[n:29][c:28]([CH2:27][CH2:26][CH2:25][O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:33]2)[cH:3][c:4]([S:12](=[O:13])(=[O:14])[NH:15][CH3:16])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2회HCID 24290Palladium ChlorideHCID 578391104-(3-Benzyloxy-propyl)-6-trimethylstannanyl-pyrimidine-2-carbonitrileHCID 670589193-bromo-N-methyl-5-(trifluoromethyl)benzenesulfonamide

생성물 1

HCID 69047005
4-(3-Benzyloxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

출처 및 근거

ORD 기록
ord-419a4f962a964b429068d5d58b3d145b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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