HRID282448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID77531

2,4-Dichloropyrimidine

C4H2Cl2N2

结构：CC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1

HCID51354026

未命名化合物

PRODUCTS

生成物

HCID51357685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4685e566d2c9475c9804fbbcd1ffc950
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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