HRID2137898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：NC1=NC2(CO1)c1cc(Br)ccc1Oc1c(F)cc(O)cc12

HCID59272373

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(-c3cncnc3)ccc1Oc1c(F)cc(O)cc12

HCID67241665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6364a7f68a8447b8b1c35ccf46fe756d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9]([Br:22])[cH:10][cH:11][c:12]1[O:13][c:14]1[c:15]([F:21])[cH:16][c:17]([OH:20])[cH:18][c:19]12.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:120].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1.[n:23]1[cH:24][n:25][cH:26][c:27]([B:29]([OH:30])[OH:31])[cH:28]1>>[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9](-[c:27]3[cH:26][n:25][cH:24][n:23][cH:28]3)[cH:10][cH:11][c:12]1[O:13][c:14]1[c:15]([F:21])[cH:16][c:17]([OH:20])[cH:18][c:19]12