HRID112624

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

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

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(-c3cccnc3F)ccc1Oc1c(F)cc(O)cc12

HCID67242769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3105dd1d9b64754880e144fac54f7be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[F:29][c:30]1[n:31][cH:32][cH:33][cH:34][c:35]1[B:36]([OH:37])[OH:38].[NH2:7][C:8]1=[N:12][C:11]2([CH2:10][O:9]1)[c:13]1[cH:14][c:15]([Br:28])[cH:16][cH:17][c:18]1[O:19][c:20]1[c:21]([F:27])[cH:22][c:23]([OH:26])[cH:24][c:25]12.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[NH2:7][C:8]1=[N:12][C:11]2([CH2:10][O:9]1)[c:13]1[cH:14][c:15](-[c:35]3[c:30]([F:29])[n:31][cH:32][cH:33][cH:34]3)[cH:16][cH:17][c:18]1[O:19][c:20]1[c:21]([F:27])[cH:22][c:23]([OH:26])[cH:24][c:25]12