HRID192575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID53338706

(1-Methyl-1H-pyrazol-3-yl)boronic acid

C4H7BN2O2

反应SMILES：O=C1OC2(CCN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)c2ccccc21

HCID66661610

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1ccc(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)n1

HCID66661659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-33187b088bc94d44a942877a538e1262
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH3:45][n:46]1[n:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[c:2]1(-[c:48]2[n:47][n:46]([CH3:45])[cH:50][cH:49]2)[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1