HRID1136771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID2758656

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

C11H18BNO3

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：Cc1noc(C)c1-c1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3ccccc34)CC2)cc1

HCID66661980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-70e035d5b55f4b7a8a128a98314375a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:48]([P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH3:32][c:33]1[n:34][o:35][c:36]([CH3:47])[c:37]1[B:38]1[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]1.[F-:61].[K+:62].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:63].[Pd:64]>>[c:2]1(-[c:37]2[c:33]([CH3:32])[n:34][o:35][c:36]2[CH3:47])[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