HRID1132433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID23005355

(5-Bromo-1-benzothiophen-2-yl)boronic acid

C8H6BBrO2S

HCID44816768

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：COc1cc(-c2cnn(C)c2)cn2ncc(-c3cc4cc(Br)ccc4s3)c12

HCID58404871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73afd91ed41e40bf8c640aa4f4bedbd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]2[c:23]([s:24][c:25]([B:27]([OH:28])[OH:29])[cH:26]2)[cH:30][cH:31]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[I:1][c:2]1[cH:3][n:4][n:5]2[c:6]1[c:7]([O:17][CH3:18])[cH:8][c:9](-[c:11]1[cH:12][n:13][n:14]([CH3:16])[cH:15]1)[cH:10]2.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:38]1[CH2:39][CH2:40][O: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:25]2[s:24][c:23]3[c:22]([cH:21][c:20]([Br:19])[cH:31][cH:30]3)[cH:26]2)[cH:3][n:4][n:5]2[c:6]1[c:7]([O:17][CH3:18])[cH:8][c:9](-[c:11]1[cH:12][n:13][n:14]([CH3:16])[cH:15]1)[cH:10]2