HRID1117457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

HCID68755598

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：COC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1

HCID45104966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed2fe5b77e1d47fe8d515059e00ef65e
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

[C:31](=[O:32])([O-:33])[O-:34].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[s:13][cH:14][c:15]([CH3:21])[c:16]2[C:17](=[O:18])[O:19][CH3:20])[cH:6][cH:7]1.[K+:35].[K+:36].[OH2:37].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([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)([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)[cH:119][cH:120]1.[n:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1>>[c:2]1(-[c:25]2[cH:24][cH:23][n:22][cH:27][cH:26]2)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[s:13][cH:14][c:15]([CH3:21])[c:16]2[C:17](=[O:18])[O:19][CH3:20])[cH:6][cH:7]1