HRID683730

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

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CCOc1ccc2ccccc2c1C(=O)n1cc(Br)c2cccnc21

HCID49758913

(3-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)(2-ethoxynaphthalen-1-yl)methanone

C20H15BrN2O2

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：CCOc1ccc2ccccc2c1C(=O)n1cc(-c2ccc(S(C)(=O)=O)cc2)c2cccnc21

HCID57891760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c0bb72fd32847a49d46dbf895139925
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4]([C:11](=[O:12])[c:13]2[c:14]([O:23][CH2:24][CH3:25])[cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[c:5]2[n:6][cH:7][cH:8][cH:9][c:10]12.[C:44](=[O:45])([O-:46])[O-:47].[CH3:26][S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[K+:48].[K+:49].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([S:27]([CH3:26])(=[O:28])=[O:29])[cH:35][cH:34]2)[cH:3][n:4]([C:11](=[O:12])[c:13]2[c:14]([O:23][CH2:24][CH3:25])[cH:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]23)[c:5]2[n:6][cH:7][cH:8][cH:9][c:10]12