HRID667987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID292189

2-Formylphenylboronic acid

C7H7BO3

HCID7171904

2-bromo-5-methyl-1,3,4-thiadiazole

C3H3BrN2S

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

HCID58542058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-987f54b122054c0db3d72f286879b8a5
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[s:3][c:4]([CH3:7])[n:5][n:6]1.[C:19](=[O:20])([O-:21])[O-:22].[CH3:109][CH2:110][O:111][C:112]([CH3:113])=[O:114].[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[CH:8](=[O:9])[c:10]1[c:11]([B:16]([OH:17])[OH:18])[cH:12][cH:13][cH:14][cH:15]1.[Na+:23].[Na+:24].[OH2:25].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([P:57]([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)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[cH:107][cH:108]1>>[c:2]1(-[c:11]2[c:10]([CH:8]=[O:9])[cH:15][cH:14][cH:13][cH:12]2)[s:3][c:4]([CH3:7])[n:5][n:6]1