HRID166418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(Br)cc12

HCID58466159

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(-c3cncnc3)cc12

HCID58466141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c260a3dbc4d84c39bcc9208990d170bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([OH:21])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[K+:35].[K+:36].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1.[n:22]1[cH:23][n:24][cH:25][c:26]([B:28]([OH:29])[OH:30])[cH:27]1>>[c:2]1(-[c:26]2[cH:25][n:24][cH:23][n:22][cH:27]2)[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([OH:21])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1