HRID1239940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID70943

4,6-Dichloropyrimidine

C4H2Cl2N2

结构：Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cccnc32)cc1

HCID49758959

1-(4-Methylbenzene-1-sulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C20H23BN2O4S

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：Cc1ccc(S(=O)(=O)n2cc(-c3cc(Cl)ncn3)c3cccnc32)cc1

HCID57597828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78bfe64fd3d44f11add6016054b8cabb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]3)[c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[O:28]1.[Cl:29][c:30]1[n:31][cH:32][n:33][c:34]([Cl:36])[cH:35]1.[K+:41].[K+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:9]1(-[c:34]2[n:33][cH:32][n:31][c:30]([Cl:29])[cH:35]2)[cH:10][n:11]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]12